Structure Database (LMSD)

Common Name
Oxyresveratrol
Systematic Name
Synonyms
LM ID
LMPK13090011
Formula
C14H12O4
Exact Mass
Calculate m/z
244.07356
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)
PDHAOJSHSJQANO-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
SMILES (Click to copy)
C1=C(O)C=C(/C=C/C2=CC=C(O)C=C2O)C=C1O

Other Databases

KEGG ID
C10273
HMDB ID
HMDB0128505
CHEBI ID
7870
PubChem CID
5281717
Cayman ID
12028
PDB ID
EZE

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 2
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 220.92
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 2.68
Molar Refractivity 68.47

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Updated at
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