metabolite

Showing entry for E-Pinocarveol

Identification

PhytoHub ID
PHUB003069
Name
E-Pinocarveol
Systematic Name
E-pin-2,10-en-3-ol
Synonyms
Not Available
CAS Number
5947-36-4
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
(3R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol
InChI Key
LCYXQUJDODZYIJ-PHLFWTGMNA-N
InChI Identifier
InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7?,8?,9-/s2
SMILES
CC1(C)C2CC1C(=C)[C@H](O)C2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
20.23
Refractivity
45.1653
Polarizability
17.879633531696186
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.5139735302532713
pKa (strongest acidic)
17.937417626307106
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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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