precursor

Showing entry for Akhdardiol

Identification

PhytoHub ID
PHUB002074
Name
Akhdardiol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
306.49
Monoisotopic Mass
306.255880335
Chemical Formula
C20H34O2
IUPAC Name
(1S,4aS,7S,8aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-tetradecahydrophenanthren-8a-ol
InChI Key
RIQATFSOVFFVRX-LPLOCXIKSA-N
InChI Identifier
InChI=1S/C20H34O2/c1-5-17(2)11-7-16-19(4)10-6-9-18(3,14-21)15(19)8-12-20(16,22)13-17/h5,15-16,21-22H,1,6-14H2,2-4H3/t15?,16?,17-,18+,19-,20+/m0/s1
SMILES
C[C@@]1(CCC2[C@@]3(C)CCC[C@](C)(CO)C3CC[C@@]2(O)C1)C=C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.46e-03 g/l
LogS (ALOGPS)
-5.32
LogP (ALOGPS)
3.75
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
91.14739999999999
Polarizability
37.15139633967783
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
0.07163757172309948
pKa (strongest acidic)
18.592349172626022
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
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
["Cyclic alcohols and derivatives", "Hydrocarbon derivatives", "Hydrophenanthrenes", "Primary alcohols", "Tertiary alcohols"]
External Descriptor Annotations
Not Available
Substituent Names
["Alcohol", "Aliphatic homopolycyclic compound", "Cyclic alcohol", "Diterpenoid", "Hydrocarbon derivative", "Hydrophenanthrene", "Organic oxygen compound", "Organooxygen compound", "Phenanthrene", "Pimarane diterpenoid", "Primary alcohol", "Tertiary alcohol"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Common oreganoHerbs and Spices PublicationsShow

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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