Identification

PhytoHub ID
PHUB000964
Name
m-mentha-4,6-dien-8-ol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
2-(3-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
InChI Key
RVGIOKDRILNWNO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8-5-4-6-9(7-8)10(2,3)11/h5,7,11H,4,6H2,1-3H3
SMILES
CC1=CCCC(=C1)C(C)(C)O
Structure

Calculated Properties

Solubility (ALOGPS)
2.65e+00 g/l
LogS (ALOGPS)
-1.76
LogP (ALOGPS)
2.62
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
49.2349
Polarizability
18.354815786827547
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.2377164981141016
pKa (strongest acidic)
18.569006634398487
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
CareneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Monoterpenoids
Direct Parent Name
Monocyclic monoterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Tertiary alcohols"]
External Descriptor Annotations
Not Available
Substituent Names
["Alcohol", "Aliphatic homomonocyclic compound", "Hydrocarbon derivative", "Monocyclic monoterpenoid", "Organic oxygen compound", "Organooxygen compound", "Tertiary alcohol"]

Spectra

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
CareneGrape wineBeverages, Alcoholic PublicationsShow
CareneMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
CarenePepperHerbs and Spices PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Carene m-mentha-4,6-dien-8-olrabbiturine (major)Not AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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