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Camphor
- Family: Plantae - Verbenaceae
- Kingdom: Plantae
-
Class: Terpenoid
- Subclass: Monoterpene
| Canonical Smiles | O=C1CC2C(C1(C)CC2)(C)C |
|---|---|
| InChI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3 |
| InChIKey | DSSYKIVIOFKYAU-UHFFFAOYSA-N |
| Formula | C10H16O |
| HBA | 1 |
| HBD | 0 |
| MW | 152.24 |
| Rotatable Bonds | 0 |
| TPSA | 17.07 |
| LogP | 2.4 |
| Number Rings | 2 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.9 |
| Exact Mass | 152.12 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Artemisia herba-alba | Asteraceae | Plantae | 72329 |
| 2 | Artemisia herba | Asteraceae | Plantae | 268028 |
| 3 | Artemisia judaica | Asteraceae | Plantae | 205369 |
| 4 | Artemisia judaica | Asteraceae | Plantae | 205369 |
| 5 | Brocchia cinerea | Asteraceae | Plantae | 282208 |
| 6 | Thymus broussonetii | Lamiaceae | Plantae | 751869 |
| 7 | Coriandrum sativum | Apiaceae | Plantae | 4047 |
| 8 | Foeniculum vulgare | Apiaceae | Plantae | 2849586 |
| 9 | Tetraclinis articulata | Cupressaceae | Plantae | 13717 |
| 10 | Cupressus arizonica | Cupressaceae | Plantae | 49011 |
| 11 | Cotula cinerea | Asteraceae | Plantae | — |
| 12 | Ocimum kilimandscharicum | Lamiaceae | Plantae | 1224218 |
| 13 | Plectranthus marrubioides | Lamiaceae | Plantae | 204214 |
| 14 | Tetradenia riparia | Lamiaceae | Plantae | 992795 |
| 15 | Lippia ukambensis | Verbenaceae | Plantae | 2794974 |
Showing of synonyms
Camphor
DL-Camphor
2-Camphanone
2-Bornanone
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
Bornan-2-one
21368-68-3
Alphanon
Kampfer
Formosa camphor
Laurel camphor
Matricaria camphor
Camphor, synthetic
Bornane, 2-oxo-
1,7,7-Trimethylnorcamphor
Japan camphor
1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone
Huile de camphre
2-Kamfanon
2-Keto-1,7,7-trimethylnorcamphane
Norcamphor, 1,7,7-trimethyl-
DTXSID5030955
CHEBI:36773
Caswell No. 155
DTXCID3010955
1,7,7-Trimethylbicyclo(2.2.1)-2-heptanone
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one
Zang Qi
DL-Bornan-2-one
HSDB 37
EINECS 200-945-0
EINECS 244-350-4
UNII-5TJD82A1ET
EPA Pesticide Chemical Code 015602
BRN 1907611
BRN 3196099
AI3-18783
(1RS,4RS)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one
EC 200-945-0
0-07-00-00135 (Beilstein Handbook Reference)
4-07-00-00213 (Beilstein Handbook Reference)
NSC26351
CAMPHOR, (+-)-
Camphor, natural
USEPA/OPP Pesticide Code: 015602
200-945-0
Camphor, synthetic (acgih:osha)
76-22-2
(+/-)-Camphor
D-(+)-Camphor
2-Camphonone
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
MFCD00074738
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-
(-)-Alcanfor
( inverted exclamation markA)-Camphor
Camphor, (1R,4R)-(+)-
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (.+/-.)-
Camphor (USP)
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-
Racemic camphor
MFCD00064149
DL-2-Bornanone
()-Camphor
Heet (Salt/Mix)
Camphor (Standard)
Sarna (Salt/Mix)
(?)-Camphor
Dl-Camphor (JP17)
(.+/-.)-Camphor
SCHEMBL16068
Camphor, (.+/-.)-
MLS001055495
CHEMBL15768
DivK1c_000724
GTPL2422
HMS502E06
HY-N0808R
KBio1_000724
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-
NINDS_000724
HMS2268A06
HMS3885J06
HY-N0808
MSK40229
Tox21_200237
BBL012963
S3851
S4516
STK803534
AKOS000118728
AKOS022060577
AC-5284
CCG-266237
CCG-266238
DB14156
FC31875
LMPR0102120001
UN 2717
CAS-76-22-2
IDI1_000724
NCGC00090681-05
NCGC00090730-01
NCGC00090730-02
NCGC00090730-05
NCGC00257791-01
1ST40229
AC-15523
SMR000386909
SY025804
SY035827
VS-03622
(1R,4R)-1,7,7-trimethylnorbornan-2-one
DB-051377
DB-056037
DB-070734
C1251
CS-0009813
NS00003762
4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
EN300-19186
1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one
C18369
D00098
E75814
1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one
A838646
Q181559
(+/-)-1,7,7-trimethyl-bicyclo[2,2,1]heptane-2-one
F0001-0763
Z104473074
- Saad A, Fadli M, et al. (2010). Anticandidal activity of the essential oils of Thymus maroccanus and Thymus broussonetii and their synergism with amphotericin B and fluconazol. Phytomedicine,2010,17(13),1057-1060. [View] [PubMed]
- Bekele J, Hassanali A. (2001). Blend effects in the toxicity of the essential oil constituents of Ocimum kilimandscharicum and Ocimum kenyense (Labiateae) on two post-harvest insect pests.. Phytochemistry,2001,57,385-391. [View] [PubMed]
- Cheraif I, Jannet HB, et al. (2007). Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene. Biochemical Systematics and Ecology,2007,35,813 -820. [View]
- Sriti J, Bettaieb I, et al. (2014). Chemical composition and antioxidant activity of the coriander cake obtained by extrusion. Arabian Journal of Chemistry,2014, in press. [View]
- Zoubiri S, Baaliouamer A, et al. (2014). Chemical composition and larvicidal activity of Algerian Foeniculum vulgare seed essential oil. Arabian Journal of Chemistry,2014,7,480-485. [View]
- Giordani R, Hadef Y, et al. (2008). Compositions and antifungal activities of essential oils of some Algerian aromatic plants.. Fitoterapia,2008,79,199 -203. [View] [PubMed]
- Belhattab R, Amor L, et al. (2014). Essential oil from Artemisia herba-alba Asso grown wild in Algeria: variability assessment and comparison with an updated literature survey.. Arabian Journal of Chemistry,2014,7,243-251. [View]
- Metwally MA, Jakupovic J, et al. (1985). Eudesmanolides from Artemisia judaica.. Phytochemistry,1985,24(5),1103-1104. [View]
- Jakupovic J, Aal MA, et al. (1988). Further glaucolides and other sesquiterpene lactones from Brocchia cinerea.. Phytochemistry,1988,27(7),2219-2224. [View]
- Metwally MA, El-dahmy S, et al. (1986). Glaucolide-like sesquiterpene lactones from Cotula cinerea. Phytochemistry,1986,25(1),255-257. [View]
- Zidane A, Tits M, et al. (2014). Phytochemical analysis of Tetraclinis articula in relation to its vasorelaxant property. Journal of Materials and Environmental Sciences,2014,5(5),1368-1375. [View]
- Omolo MO, Okinyo D, et al. (2004). Repellency of essential oils of some Kenyan plants against Anopheles gambiae. Phytochemistry,2004,65(20),2797-2802. [View] [PubMed]
- Saleh, MA (1985). Volatile components of Artemitisia monosperma and Artemisia judaica growing in Egyptian deserts.. Biochemical Systematics and Ecology,1985,13(3),265-269. [View]
Pubchem:
2537
Cas:
21368-68-3
Kegg Ligand:
C18369
Chebi:
36773
Nmrshiftdb2:
20253146
Metabolights:
MTBLC36773
Chembl:
CHEMBL15768
Comptox:
DTXSID5030955
Drugbank:
DB14156
CPRiL:
421773
SMILES: C12C(=O)CC(C1)CC2
Level: 0
Mol. Weight: 152.24 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.48
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -4.160
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.43
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.410
- Plasma Protein Binding
- 21.09
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 12.530
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Toxic
- Bioconcentration Factor
- 1.200
- Biodegradation
- Safe
- Carcinogenesis
- Toxic
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 0.330
- Liver Injury II
- Toxic
- hERG Blockers
- Safe
- Daphnia Maga
- 3.650
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- 2.010
- Rat (Acute)
- 1.840
- Rat (Chronic Oral)
- 1.280
- Fathead Minnow
- 3.610
- Respiratory Disease
- Toxic
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 211.450
- Hydration Free Energy
- -3.970
- Log(D) at pH=7.4
- 1.660
- Log(P)
- 2.33
- Log S
- -2.08
- Log(Vapor Pressure)
- -0.71
- Melting Point
- 144.99
- pKa Acid
- 11.72
- pKa Basic
- 8.24
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| ADP-ribosylation factor 1 | P84077 | ARF1_HUMAN | Homo sapiens | 2 | 0.8376 |
| ADP-ribosylation factor 1 | P84077 | ARF1_HUMAN | Homo sapiens | 2 | 0.8376 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7643 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7643 |
| Pentaerythritol tetranitrate reductase | P71278 | P71278_ENTCL | Enterobacter cloacae | 2 | 0.7625 |
| Pentaerythritol tetranitrate reductase | P71278 | P71278_ENTCL | Enterobacter cloacae | 2 | 0.7625 |
| Photosynthetic reaction center cytochrome c subunit | P07173 | CYCR_BLAVI | Blastochloris viridis | 2 | 0.7616 |
| Photosynthetic reaction center cytochrome c subunit | P07173 | CYCR_BLAVI | Blastochloris viridis | 2 | 0.7616 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7605 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7605 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7604 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7604 |
| Steroid Delta-isomerase | P07445 | SDIS_PSEPU | Pseudomonas putida | 2 | 0.7557 |
| Steroid Delta-isomerase | P07445 | SDIS_PSEPU | Pseudomonas putida | 2 | 0.7557 |
| Nuclear receptor ROR-gamma | P51449 | RORG_HUMAN | Homo sapiens | 2 | 0.7457 |
| Nuclear receptor ROR-gamma | P51449 | RORG_HUMAN | Homo sapiens | 2 | 0.7457 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | P14061 | DHB1_HUMAN | Homo sapiens | 2 | 0.7447 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | P14061 | DHB1_HUMAN | Homo sapiens | 2 | 0.7447 |
| Aldo-keto reductase family 1 member C2 | P52895 | AK1C2_HUMAN | Homo sapiens | 2 | 0.7445 |
| Aldo-keto reductase family 1 member C2 | P52895 | AK1C2_HUMAN | Homo sapiens | 2 | 0.7445 |
| Aldo-keto reductase family 1 member C2 | P52895 | AK1C2_HUMAN | Homo sapiens | 2 | 0.7404 |
| Aldo-keto reductase family 1 member C2 | P52895 | AK1C2_HUMAN | Homo sapiens | 2 | 0.7404 |
| Corticosteroid-binding globulin | P08185 | CBG_HUMAN | Homo sapiens | 2 | 0.7389 |
| Corticosteroid-binding globulin | P08185 | CBG_HUMAN | Homo sapiens | 2 | 0.7389 |
| Androgen receptor | P10275 | ANDR_HUMAN | Homo sapiens | 2 | 0.7371 |
| Androgen receptor | P10275 | ANDR_HUMAN | Homo sapiens | 2 | 0.7371 |
| Progesterone receptor | P06401 | PRGR_HUMAN | Homo sapiens | 2 | 0.7356 |
| Progesterone receptor | P06401 | PRGR_HUMAN | Homo sapiens | 2 | 0.7356 |
| Ferrochelatase, mitochondrial | P22830 | HEMH_HUMAN | Homo sapiens | 2 | 0.7341 |
| Ferrochelatase, mitochondrial | P22830 | HEMH_HUMAN | Homo sapiens | 2 | 0.7341 |
| Androgen receptor | P10275 | ANDR_HUMAN | Homo sapiens | 2 | 0.7321 |
| Androgen receptor | P10275 | ANDR_HUMAN | Homo sapiens | 2 | 0.7321 |
| Aromatase | P11511 | CP19A_HUMAN | Homo sapiens | 2 | 0.7309 |
| Aromatase | P11511 | CP19A_HUMAN | Homo sapiens | 2 | 0.7309 |
| 11-beta-hydroxysteroid dehydrogenase 1 | P28845 | DHI1_HUMAN | Homo sapiens | 2 | 0.7293 |
| 11-beta-hydroxysteroid dehydrogenase 1 | P28845 | DHI1_HUMAN | Homo sapiens | 2 | 0.7293 |
| Gastrotropin | Q6IMW5 | Q6IMW5_DANRE | Danio rerio | 2 | 0.7282 |
| Gastrotropin | Q6IMW5 | Q6IMW5_DANRE | Danio rerio | 2 | 0.7282 |
| Aldo-keto reductase family 1 member C1 | Q04828 | AK1C1_HUMAN | Homo sapiens | 2 | 0.7280 |
| Aldo-keto reductase family 1 member C1 | Q04828 | AK1C1_HUMAN | Homo sapiens | 2 | 0.7280 |
| Prostaglandin reductase 2 | Q8N8N7 | PTGR2_HUMAN | Homo sapiens | 2 | 0.7238 |
| Prostaglandin reductase 2 | Q8N8N7 | PTGR2_HUMAN | Homo sapiens | 2 | 0.7238 |
| Sex hormone-binding globulin | P04278 | SHBG_HUMAN | Homo sapiens | 2 | 0.7199 |
| Sex hormone-binding globulin | P04278 | SHBG_HUMAN | Homo sapiens | 2 | 0.7199 |
| Avidin | P02701 | AVID_CHICK | Gallus gallus | 2 | 0.7183 |
| Avidin | P02701 | AVID_CHICK | Gallus gallus | 2 | 0.7183 |
| CmeR | Q7B8P6 | Q7B8P6_CAMJU | Campylobacter jejuni | 2 | 0.7182 |
| CmeR | Q7B8P6 | Q7B8P6_CAMJU | Campylobacter jejuni | 2 | 0.7182 |
| Mineralocorticoid receptor | P08235 | MCR_HUMAN | Homo sapiens | 2 | 0.7155 |
| Mineralocorticoid receptor | P08235 | MCR_HUMAN | Homo sapiens | 2 | 0.7155 |
| Sex hormone-binding globulin | P04278 | SHBG_HUMAN | Homo sapiens | 2 | 0.7150 |
| Sex hormone-binding globulin | P04278 | SHBG_HUMAN | Homo sapiens | 2 | 0.7150 |
| Sulfotransferase 2B1 | O00204 | ST2B1_HUMAN | Homo sapiens | 2 | 0.7116 |
| Sulfotransferase 2B1 | O00204 | ST2B1_HUMAN | Homo sapiens | 2 | 0.7116 |
| Steroid Delta-isomerase | P00947 | SDIS_COMTE | Comamonas testosteroni | 2 | 0.7102 |
| Steroid Delta-isomerase | P00947 | SDIS_COMTE | Comamonas testosteroni | 2 | 0.7102 |
| Photosynthetic reaction center cytochrome c subunit | P07173 | CYCR_BLAVI | Blastochloris viridis | 2 | 0.7101 |
| Photosynthetic reaction center cytochrome c subunit | P07173 | CYCR_BLAVI | Blastochloris viridis | 2 | 0.7101 |
| Sulfotransferase 2B1 | O00204 | ST2B1_HUMAN | Homo sapiens | 2 | 0.7085 |
| Sulfotransferase 2B1 | O00204 | ST2B1_HUMAN | Homo sapiens | 2 | 0.7085 |
| Retinoic acid receptor RXR-alpha | P19793 | RXRA_HUMAN | Homo sapiens | 2 | 0.7080 |
| Retinoic acid receptor RXR-alpha | P19793 | RXRA_HUMAN | Homo sapiens | 2 | 0.7080 |
| Cytochrome P450 monooxygenase | Q5YNS8 | Q5YNS8_NOCFA | Nocardia farcinica | 2 | 0.7058 |
| Cytochrome P450 monooxygenase | Q5YNS8 | Q5YNS8_NOCFA | Nocardia farcinica | 2 | 0.7058 |
| Aldo-keto reductase family 1 member C2 | P52895 | AK1C2_HUMAN | Homo sapiens | 2 | 0.7051 |
| Aldo-keto reductase family 1 member C2 | P52895 | AK1C2_HUMAN | Homo sapiens | 2 | 0.7051 |
| Mineralocorticoid receptor | P08235 | MCR_HUMAN | Homo sapiens | 2 | 0.7030 |
| Mineralocorticoid receptor | P08235 | MCR_HUMAN | Homo sapiens | 2 | 0.7030 |