Identification

PhytoHub ID
PHUB000110
Name
Capsidiol
Synonyms
  • (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol1be
CAS Number
Not Available
Average Mass
236.355
Monoisotopic Mass
236.177630013
Chemical Formula
C15H24O2
IUPAC Name
capsidiol
InChI Key
BXXSHQYDJWZXPB-OKNSCYNVSA-N
InChI Identifier
InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
SMILES
C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C
Structure

Calculated Properties

Solubility (ALOGPS)
8.47e-01 g/l
LogS (ALOGPS)
-2.45
LogP (ALOGPS)
2.70
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
70.51679999999999
Polarizability
27.63993652611021
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.870269296051214
pKa (strongest acidic)
14.349248791835812
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP005497MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

Metabolism

No metabolism information available

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