Structure Database (LMSD)
Common Name
Tephrocarpin
Systematic Name
3,6a-Dihydroxy-4-methoxy-8,9-methylenedioxypterocarpan
Synonyms
3D model of Tephrocarpin
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)
MWQPAELXDZZOEN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-20-15-10(18)3-2-8-14(15)21-6-17(19)9-4-12-13(23-7-22-12)5-11(9)24-16(8)17/h2-5,16,18-19H,6-7H2,1H3
SMILES (Click to copy)
C1(O)C=CC2C3OC4=CC5OCOC=5C=C4C3(O)COC=2C=1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
5
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
264.75
Topological Polar Surface Area
94.89
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
2.13
Molar Refractivity
80.47
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Updated at
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