Structure Database (LMSD)

Common Name
4-Prenylresveratrol
Systematic Name
Synonyms
LM ID
LMPK13090014
Formula
C19H20O3
Exact Mass
Calculate m/z
296.141245
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

String Representations

InChiKey (Click to copy)
WWFOQQIWOKJBSJ-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4+
SMILES (Click to copy)
C1(C/C=C(\C)/C)=C(O)C=C(/C=C/C2=CC=C(O)C=C2)C=C1O

Other Databases

KEGG ID
C10285
CHEBI ID
1927
PubChem CID
5281725

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 295.99
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 4.48
Molar Refractivity 89.94

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Updated at
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