Structure Database (LMSD)
Common Name
Albanin E
Systematic Name
Synonyms
3D model of Albanin E
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)
CNACUOPDTBOMCZ-VIZOYTHASA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-10-8-16(26)11-19(17)27/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC(O)=CC=3)=CC(=O)C=2C(O)=C1C/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
397.62
Topological Polar Surface Area
111.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
6.42
Molar Refractivity
120.81
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Updated at
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