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
Similar Structures

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

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

Food Sources

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

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