Structure Database (LMSD)
Common Name
3-hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
Systematic Name
Synonyms
3D model of 3-hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Other Databases
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
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Created at
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Updated at
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