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1-nonadecene
- Family: Plantae - Apiaceae
- Kingdom: Plantae
-
Class: Alkene
- Subclass: Long Chain Alkene
| Canonical Smiles | CCCCCCCCCCCCCCCCCC=C |
|---|---|
| InChI | InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3 |
| InChIKey | NHLUYCJZUXOUBX-UHFFFAOYSA-N |
| Formula | C19H38 |
| HBA | 0 |
| HBD | 0 |
| MW | 266.51 |
| Rotatable Bonds | 16 |
| TPSA | 0.0 |
| LogP | 7.43 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.89 |
| Exact Mass | 266.3 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Ammodaucus leucotrichus | Apiaceae | Plantae | 79158 |
Showing of synonyms
1-nonadecene
18435-45-5
Nonadec-1-ene
Nonadecene
27400-77-7
41F44CP2NI
NSC-77135
UNII-41F44CP2NI
EINECS 242-313-7
EINECS 248-442-5
MFCD00009010
NSC 77135
AI3-36475
DTXSID0066377
CHEBI:64503
NSC77135
TAA43545
LMFA11000322
AKOS028108410
1-Nonadecene, Standard Material for GC
BS-22718
DB-044527
CS-0196916
NS00021784
S0349
T71983
1-NONADECENE [STANDARD MATERIAL FOR GC]
Q27133324
- 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:
29075
Cas:
18435-45-5
Zinc:
ZINC000085599377
Chebi:
64503
Nmrshiftdb2:
60019563
Metabolights:
MTBLC64503
Comptox:
DTXSID0066377
No compound-protein relationship available.
No scaffolds available.
Antimicrobial
Absorption
- Caco-2 (logPapp)
- -4.99
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.79
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Substrate
- Skin Permeability
- -3.63
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 2.3
- Plasma Protein Binding
- 19.03
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- 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
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 5.12
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 2.31
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 1.67
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 4.99
- 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
- 7.91
- Rat (Acute)
- 1.1
- Rat (Chronic Oral)
- 2.48
- Fathead Minnow
- 4.37
- 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
- 329.76
- Hydration Free Energy
- 1.98
- Log(D) at pH=7.4
- 6.25
- Log(P)
- 10.17
- Log S
- -7.03
- Log(Vapor Pressure)
- -4.02
- Melting Point
- 13.81
- pKa Acid
- 11.23
- pKa Basic
- 9.29
No predicted protein targets found for this compound.