Structure Database (LMSD)
Common Name
5-Hydroxypseudobaptigenin
Systematic Name
Synonyms
3D model of 5-Hydroxypseudobaptigenin
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)
BNFXYMBRFDJYCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
234.84
Topological Polar Surface Area
93.27
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.50
Molar Refractivity
77.48
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Updated at
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