Structure Database (LMSD)
Common Name
Odoricarpan
Systematic Name
10-Hydroxy-3,4,9-trimethoxypterocarpan
Synonyms
3D model of Odoricarpan
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
YVRAOSSDJCUVDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-20-12-6-4-9-11-8-23-17-10(15(11)24-16(9)14(12)19)5-7-13(21-2)18(17)22-3/h4-7,11,15,19H,8H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OCC3C4C=CC(OC)=C(O)C=4OC3C=2C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
285.62
Topological Polar Surface Area
70.52
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
3.31
Molar Refractivity
86.30
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Updated at
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