Identification

PhytoHub ID
PHUB001006
Name
Myrcene (3-Hydroxy, 10-carboxylic acid)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
184.235
Monoisotopic Mass
184.109944375
Chemical Formula
C10H16O3
IUPAC Name
2-ethenyl-2-hydroxy-6-methylhept-5-enoic acid
InChI Key
LNVCRVBAADGZJE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O3/c1-4-10(13,9(11)12)7-5-6-8(2)3/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)
SMILES
CC(C)=CCCC(O)(C=C)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
5.00e+00 g/l
LogS (ALOGPS)
-1.57
LogP (ALOGPS)
1.51
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
5
Polar Surface Area
57.53
Refractivity
51.6928
Polarizability
20.182838950312515
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.107863275221464
pKa (strongest acidic)
4.299406499695042
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Precursor Taxonomy

PrecursorFamilyClassSub-class
MyrceneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Myrcene Myrcene (3-Hydroxy, 10-carboxylic acid)rabbiturine Publications
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