Structure Database (LMSD)
Common Name
Baicalein 5,6,7-trimethyl ether
Systematic Name
Synonyms
3D model of Baicalein 5,6,7-trimethyl ether
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)
HJNJAUYFFFOFBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(OC)=C1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
273.01
Topological Polar Surface Area
57.90
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
4.39
Molar Refractivity
87.68
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Created at
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Updated at
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