Structure Database (LMSD)
Common Name
Tangeretin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Tangeretin
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)
ULSUXBXHSYSGDT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(OC)=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
27
Rings
3
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
325.19
Topological Polar Surface Area
76.36
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
logP
4.40
Molar Refractivity
100.79
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Created at
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Updated at
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