Structure Database (LMSD)
Common Name
Herbacetin
Systematic Name
Synonyms
3D model of Herbacetin
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)
ZDOTZEDNGNPOEW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
SMILES (Click to copy)
C1(O)=C(O)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
238.69
Topological Polar Surface Area
131.36
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
logP
2.89
Molar Refractivity
76.35
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Updated at
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