Structure Database (LMSD)
Common Name
2-Hydroxyflemichapparin C
Systematic Name
2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan
Synonyms
3D model of 2-Hydroxyflemichapparin C
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)
QKIMKWTXCITOEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O7/c1-20-12-4-11-8(2-9(12)18)16-15(17(19)24-11)7-3-13-14(22-6-21-13)5-10(7)23-16/h2-5,18H,6H2,1H3
SMILES (Click to copy)
C1(OC)C(O)=CC2C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
5
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
248.57
Topological Polar Surface Area
93.57
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
3.91
Molar Refractivity
82.44
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Updated at
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