Identification

PhytoHub ID
PHUB000966
Name
3-Carene-9-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
[(1S,6R)-3,7-dimethylbicyclo[4.1.0]hept-3-en-7-yl]methanol
InChI Key
YPFHKSCCUJXMAG-ZBTBKQCYNA-N
InChI Identifier
InChI=1/C10H16O/c1-7-3-4-8-9(5-7)10(8,2)6-11/h3,8-9,11H,4-6H2,1-2H3/t8-,9+,10?/s2
SMILES
CC1=CC[[email protected]@H]2[[email protected]](C1)C2(C)CO
Structure

Calculated Properties

Solubility (ALOGPS)
1.97e+00 g/l
LogS (ALOGPS)
-1.89
LogP (ALOGPS)
1.90
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
46.497
Polarizability
18.184773674250184
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.411801871777091
pKa (strongest acidic)
18.17100623736376
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
CareneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

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

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Carene 3-Carene-9-olrabbiturineNot AvailableC10H16O152.120115135 Publications
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