Identification

PhytoHub ID
PHUB000969
Name
3-caren-10-ol-9-carboxylic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
182.219
Monoisotopic Mass
182.094294311
Chemical Formula
C10H14O3
IUPAC Name
(1S,6R)-7-(hydroxymethyl)-3-methylbicyclo[4.1.0]hept-3-ene-7-carboxylic acid
InChI Key
GOWUAPWJOOLHSA-HHCGNCNQSA-N
InChI Identifier
InChI=1S/C10H14O3/c1-6-2-3-7-8(4-6)10(7,5-11)9(12)13/h2,7-8,11H,3-5H2,1H3,(H,12,13)/t7-,8+,10?/m1/s1
SMILES
CC1=CC[C@@H]2[C@H](C1)C2(CO)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
7.44e+00 g/l
LogS (ALOGPS)
-1.39
LogP (ALOGPS)
0.87
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
57.53
Refractivity
48.214200000000005
Polarizability
19.21519506170222
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.8613416177507114
pKa (strongest acidic)
4.415595244770509
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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

PrecursorMetaboliteSpeciesBiofluids
Carene 3-caren-10-ol-9-carboxylic acidrabbiturine Publications
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