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Borneol
- Family: Plantae - Asteraceae
- Kingdom: Plantae
-
Class: Terpenoid
- Subclass: Sesquiterpene
| Canonical Smiles | O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C |
|---|---|
| InChI | InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1 |
| InChIKey | DTGKSKDOIYIVQL-WEDXCCLWSA-N |
| Formula | C10H18O |
| HBA | 1 |
| HBD | 1 |
| MW | 154.25 |
| Rotatable Bonds | 0 |
| TPSA | 20.23 |
| LogP | 2.19 |
| Number Rings | 2 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Fraction CSP3 | 1.0 |
| Exact Mass | 154.14 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Anthemis tigrensis | Asteraceae | Plantae | 158234 |
Showing of synonyms
Borneol
Camphol
2-Hydroxybornane
2-Camphanol
2-Hydroxycamphane
2-Bornanol, endo-
2-endo-Bornyl alcohol
Camphane, 2-hydroxy-
FEMA No. 2157
Hechenglongnao
Bingpian
Borneol, dl-
UNII-M89NIB437X
Borneolum syntheticum
Bornyl alcohol
CCRIS 7300
HSDB 946
M89NIB437X
EINECS 208-080-0
AI3-00116
2-Hydroxy-1,7,7-trimethylnorbornane, endo-
2-borneol
BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, endo-
NSC 60223
1,7,7-Trimethyl-bicyclo(2.2.1)heptan-2-ol, endo-
BORNEOL (MART.)
BORNEOL [MART.]
Endo-2-camphanol
NSC-60223
Endo-2-hydroxycamphane
(+-)-borneol
Endo-2-Hydroxy-1,7,7-trimethylnorbornane
Varicose Veins Patch
Enokon Pain relief patch
Endo-1,7,7-Trimethylbicyclo
BORNEOL, (+-)-
ENDO-(+-)-BORNAN-2-OL
BORNEOL (CONSTITUENT OF BLACK PEPPER)
Pain relief patch-acupoint pressure stimulation
Enokon Pain relief patch-acupoint pressure stimulation
Flavor and Extract Manufacturers' Association Number 2157
Endo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol
(+)-Borneol
464-43-7
D-Borneol
507-70-0
Dexborneol
(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
(1R,2S,4R)-Borneol
Borneol, (+)-
DL-Isoborneol
D-CAMPHANOL
DL-Borneol
BORNEOL D-FORM
BORNEOL, D-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-rel-
8D24LWT4FK
Borneocamphor
Borneo camphor
Sumatra camphor
Endo-Borneol
CHEBI:15393
(+)?-?Borneol
Endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
(1R-endo)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol
Malayan camphor
Baros camphor
Trans-Borneol
Bhimsaim camphor
MFCD00066427
(1R,2S,4R)-rel-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
Dryobalanops camphor
UNII-8D24LWT4FK
(1R-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-rel-
CCRIS 6550
MFCD00074821
Borneol (contains ca. 20% Isoborneol)
(+)-Borneol 100 microg/mL in Methanol
EINECS 207-352-6
UN1312
(-) Borneol
D-(+)-Borneol
BRN 2038056
BORNEOL [FHFI]
BORNEOL [HSDB]
BORNEOL [FCC]
BORNEOL [MI]
BORNEOL [WHO-DD]
(+)-Borneol, 97%
D-BORNEOL [WHO-DD]
SCHEMBL56713
BORNEOL D-FORM [MI]
4-06-00-00281 (Beilstein Handbook Reference)
CHEMBL486208
GTPL6413
BORNEOL, (+/-)-
DTXSID2058700
DTXSID3052143
REL-(1S,2R,4S)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL
BDBM36265
HY-N1368A
(+)-Borneol, analytical standard
DTGKSKDOIYIVQL-WEDXCCLWSA-N
BORNEOLUM SYNTHETICUM [CHP]
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1R-endo)-
CCG-36088
AKOS016004136
CS-7758
Borneol [UN1312] [Flammable solid]
BS-42578
FB145395
FEMA NO. 2157, (+)-
NS00080677
EN300-84951
D96054
Q412435
BORNEOL (CONSTITUENT OF BLACK PEPPER) [DSC]
F0001-1255
Z1255372631
(1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
(1R,4R,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
Pubchem:
6552009
Cas:
464-43-7
Zinc:
ZINC000000968100
Chebi:
15393
Nmrshiftdb2:
60000010
Metabolights:
MTBLC15393
Chembl:
CHEMBL486208
Comptox:
DTXSID2058700
Drugbank:
DB17066
Bindingdb:
36265
CPRiL:
40119
SMILES: C12CC(CC1)CC2
Level: 0
Mol. Weight: 154.25 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.64
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.72
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.72
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.36
- Plasma Protein Binding
- 41.43
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-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
- 11.74
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Toxic
- Bioconcentration Factor
- 0.75
- Biodegradation
- Safe
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 0.56
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 2.97
- 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
- 0.29
- Rat (Acute)
- 1.7
- Rat (Chronic Oral)
- 1.32
- Fathead Minnow
- 3.35
- 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
- 225.21
- Hydration Free Energy
- -3.56
- Log(D) at pH=7.4
- 2.06
- Log(P)
- 3.05
- Log S
- -2.38
- Log(Vapor Pressure)
- -1.42
- Melting Point
- 170.11
- pKa Acid
- 12.97
- pKa Basic
- 9.22
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | P50172 | DHI1_MOUSE | Mus musculus | 3 | 0.8405 |
| 11-beta-hydroxysteroid dehydrogenase 1 | P50172 | DHI1_MOUSE | Mus musculus | 3 | 0.8405 |
| Lactoylglutathione lyase | Q9CPU0 | LGUL_MOUSE | Mus musculus | 2 | 0.7534 |
| Lactoylglutathione lyase | Q9CPU0 | LGUL_MOUSE | Mus musculus | 2 | 0.7534 |
| Photosynthetic reaction center cytochrome c subunit | P07173 | CYCR_BLAVI | Blastochloris viridis | 3 | 0.7481 |
| Photosynthetic reaction center cytochrome c subunit | P07173 | CYCR_BLAVI | Blastochloris viridis | 3 | 0.7481 |
| Ferrochelatase, mitochondrial | P22830 | HEMH_HUMAN | Homo sapiens | 3 | 0.7477 |
| Ferrochelatase, mitochondrial | P22830 | HEMH_HUMAN | Homo sapiens | 3 | 0.7477 |
| Steroid Delta-isomerase | P07445 | SDIS_PSEPU | Pseudomonas putida | 2 | 0.7447 |
| Steroid Delta-isomerase | P07445 | SDIS_PSEPU | Pseudomonas putida | 2 | 0.7447 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7430 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7430 |
| Phospholipase A2, major isoenzyme | P00592 | PA21B_PIG | Sus scrofa | 3 | 0.7213 |
| Phospholipase A2, major isoenzyme | P00592 | PA21B_PIG | Sus scrofa | 3 | 0.7213 |
| Sulfotransferase 2A1 | Q06520 | ST2A1_HUMAN | Homo sapiens | 2 | 0.7032 |
| Sulfotransferase 2A1 | Q06520 | ST2A1_HUMAN | Homo sapiens | 2 | 0.7032 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7021 |
| Aldo-keto reductase family 1 member D1 | P51857 | AK1D1_HUMAN | Homo sapiens | 2 | 0.7021 |