Structure Database (LMSD)

Common Name
3-hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
Systematic Name
Synonyms
LM ID
LMPK13090009
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
DFMCTODOEICLEB-ZRDIBKRKSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-14(2)9-11-16-17(12-10-15-7-5-4-6-8-15)20(21(23)24)18(22)13-19(16)25-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/b12-10+
SMILES (Click to copy)
C1=C(OC)C(C/C=C(\C)/C)=C(/C=C/C2=CC=CC=C2)C(C(O)=O)=C1O

References

Other Databases

KEGG ID
C10264
HMDB ID
HMDB0039439
CHEBI ID
28152
PubChem CID
5281715

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 336.74
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.78
Molar Refractivity 100.12

Admin

Created at
-
Updated at
-