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1-decene
- Family: Plantae - Asteraceae
- Kingdom: Plantae
-
Class: Terpenoid
- Subclass: Monoterpene
| Canonical Smiles | CCCCCCCCC=C |
|---|---|
| InChI | InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3 |
| InChIKey | AFFLGGQVNFXPEV-UHFFFAOYSA-N |
| Formula | C10H20 |
| HBA | 0 |
| HBD | 0 |
| MW | 140.27 |
| Rotatable Bonds | 7 |
| TPSA | 0.0 |
| LogP | 3.92 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.8 |
| Exact Mass | 140.16 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Artemisia herba-alba | Asteraceae | Plantae | 72329 |
Showing of synonyms
1-decene
Dec-1-ene
872-05-9
Decylene
N-1-Decene
1-n-Decene
Alpha-Decene
N-Decylene
Gulftene 10
Dialene 10
NSC 62122
CCRIS 5718
HSDB 1073
EINECS 212-819-2
UNII-7O4U4C718P
DTXSID8027329
CHEBI:87315
7O4U4C718P
NSC-62122
DECENE, 1-
DTXCID507329
EC 212-819-2
212-819-2
Decene-1
.alpha.-Decene
MFCD00009577
Decene, n-
UNII-U333RI6EB7
Linealene 10
Neodene 10
1-Decene, 94%
1-DECENE [HSDB]
EC 500-183-1
UNII-4U179ML4TJ
UNII-CQ4IKK1766
Alkenes, C10-16 alpha-
1-Decene, analytical standard
UNII-75Y1X69O7I
4U179ML4TJ
CQ4IKK1766
U333RI6EB7
CHEMBL3187990
1-DECENE MFC10 H20
75Y1X69O7I
UNII-4YI0729529
NSC62122
EINECS 272-492-7
Tox21_200195
LMFA11000311
1-Decene, >=97.0% (GC)
AKOS015902910
1-Decene, purum, >=95.0% (GC)
NCGC00248557-01
NCGC00257749-01
1-C10H20
CAS-872-05-9
DB-056981
1-DECENE [STANDARD MATERIAL FOR GC]
4YI0729529
D0028
NS00002641
S0340
EN300-384588
T73018
Q151410
F8881-0779
InChI=1/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H
672-05-9
- 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]
Pubchem:
13381
Cas:
872-05-9
Zinc:
ZINC000001691021
Chebi:
87315
Nmrshiftdb2:
10006119
Metabolights:
MTBLC87315
Chembl:
CHEMBL3187990
Comptox:
DTXSID8027329
CPRiL:
105416
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.24
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.65
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -3.22
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.84
- Plasma Protein Binding
- 11.3
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Inhibitor
- CYP 2C9 Substrate
- Non-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
- 8.59
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 3.0
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 1.01
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 4.2
- 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
- 4.52
- Rat (Acute)
- 1.14
- Rat (Chronic Oral)
- 2.01
- Fathead Minnow
- 3.92
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 168.68
- Hydration Free Energy
- 2.16
- Log(D) at pH=7.4
- 3.92
- Log(P)
- 5.54
- Log S
- -5.63
- Log(Vapor Pressure)
- 0.08
- Melting Point
- -67.82
- pKa Acid
- 11.36
- pKa Basic
- 11.23
No predicted protein targets found for this compound.