precursor

Showing entry for Pinosylvin

Identification

PhytoHub ID
PHUB000322
Name
Pinosylvin
Systematic Name
Not Available
Synonyms
  • 3,5-Dihydroxystilbene
  • Stilbene-3,5-diol
CAS Number
Not Available
Average Mass
212.248
Monoisotopic Mass
212.083729626
Chemical Formula
C14H12O2
IUPAC Name
pinosylvin
InChI Key
YCVPRTHEGLPYPB-VOTSOKGWSA-N
InChI Identifier
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
SMILES
OC1=CC(\C=C\C2=CC=CC=C2)=CC(O)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
4.81e-02 g/l
LogS (ALOGPS)
-3.65
LogP (ALOGPS)
3.28
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
2
Polar Surface Area
40.46
Refractivity
65.47460000000001
Polarizability
23.503373573646886
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.178025722248195
pKa (strongest acidic)
8.657352552168394
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
PeanutNuts PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Pinosylvin Resveratrol (trans-)ratplasmahost metabolismC14H12O3228.078644246 Publications
Pinosylvin Resveratrol (cis-)ratplasmahost metabolismC14H12O3228.078644246 Publications
Pinosylvin Pinosylvin-glucuronideratplasmahost metabolismC20H20O8 388.1158 Publications
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