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1-pentadecene
- Family: Plantae - Apiaceae
- Kingdom: Plantae
-
Class: Alkene
- Subclass: Long Chain Alkene
| Canonical Smiles | CCCCCCCCCCCCCC=C |
|---|---|
| InChI | InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3 |
| InChIKey | PJLHTVIBELQURV-UHFFFAOYSA-N |
| Formula | C15H30 |
| HBA | 0 |
| HBD | 0 |
| MW | 210.4 |
| Rotatable Bonds | 12 |
| TPSA | 0.0 |
| LogP | 5.87 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.87 |
| Exact Mass | 210.23 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Ammodaucus leucotrichus | Apiaceae | Plantae | 79158 |
Showing of synonyms
1-pentadecene
Pentadec-1-ene
PENTADECENE,1-
CCRIS 5721
EINECS 236-414-5
UNII-KH577LIA74
NSC 77125
KH577LIA74
NSC-77125
DTXSID1065421
CHEBI:77506
Pentadecene, 1
DTXCID4034156
Pjlhtvibelqurv-uhfffaoysa-n
13360-61-7
Pentadecene
C15H30
MFCD00008987
27251-68-9
1-Pentadecene, 98%
UNII-2M9QW46A8B
2M9QW46A8B
NSC77125
EINECS 248-364-1
LMFA11000327
AKOS015912787
AS-56500
DB-042190
CS-0186359
NS00020262
P0627
S0345
D83561
Q3374882
- Gherraf N, Zellagui A, et al. (2013). Chemical constituents and antimicrobial activity of essential oils of Ammodaucus leucotricus. Arabian Journal of Chemistry, 2013, in press. [View]
Pubchem:
25913
Cas:
13360-61-7
Zinc:
ZINC000001708386
Chebi:
77506
Nmrshiftdb2:
60019416
Metabolights:
MTBLC77506
Comptox:
DTXSID1065421
CPRiL:
422357
No scaffolds available.
Antimicrobial
Absorption
- Caco-2 (logPapp)
- -4.67
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.76
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -3.45
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 1.71
- Plasma Protein Binding
- 15.76
- 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
- 6.57
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 2.64
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 1.46
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 4.8
- 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
- 6.45
- Rat (Acute)
- 1.09
- Rat (Chronic Oral)
- 2.28
- Fathead Minnow
- 4.15
- 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
- 266.44
- Hydration Free Energy
- 2.23
- Log(D) at pH=7.4
- 5.43
- Log(P)
- 8.07
- Log S
- -6.97
- Log(Vapor Pressure)
- -2.16
- Melting Point
- -10.6
- pKa Acid
- 11.1
- pKa Basic
- 9.86
No predicted protein targets found for this compound.