Akhdarenol
precursor
Showing entry for Akhdarenol
Identification
- PhytoHub ID
- PHUB002075
- Name
- Akhdarenol
- Systematic Name
- Not Available
- Synonyms
- Pimara-7,15-dien-18-ol
- CAS Number
- Not Available
- Average Mass
- 288.475
- Monoisotopic Mass
- 288.24531565
- Chemical Formula
- C20H32O
- IUPAC Name
- [(1S,4aR,7S)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl]methanol
- InChI Key
- DUEINKIQNGZKPL-GNWGEKMJSA-N
- InChI Identifier
InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16?,17?,18-,19+,20+/m0/s1
- SMILES
C[C@@]1(CCC2C(C1)=CCC1[C@@](C)(CO)CCC[C@]21C)C=C
- Structure
Structure for Akhdarenol
Calculated Properties
- Solubility (ALOGPS)
- 7.13e-04 g/l
- LogS (ALOGPS)
- -5.61
- LogP (ALOGPS)
- 5.14
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 20.23
- Refractivity
- 90.39229999999999
- Polarizability
- 35.77972732378254
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.2013795592574859
- pKa (strongest acidic)
- 18.652081483179046
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- PubChem
- 158539
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Diterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Diterpenoids
- Direct Parent Name
- Diterpenoids
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Hydrophenanthrenes", "Primary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aliphatic homopolycyclic compound", "Diterpenoid", "Hydrocarbon derivative", "Hydrophenanthrene", "Organic oxygen compound", "Organooxygen compound", "Phenanthrene", "Pimarane diterpenoid", "Primary alcohol"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Common oregano | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available