Structure Database (LMSD)
Common Name
Pseudobaptigenin
Systematic Name
Synonyms
3D model of Pseudobaptigenin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
KNJNBKINYHZUGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
SMILES (Click to copy)
C1(O)C=C2OC=C(C3C=C4OCOC4=CC=3)C(=O)C2=CC=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
226.05
Topological Polar Surface Area
73.04
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.79
Molar Refractivity
75.82
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Updated at
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