Structure Database (LMSD)

Common Name
Cudraflavone C
Systematic Name
2',4',5,7-Tetrahydroxy-3,6-bis(3-methyl-2-butenyl)flavone
Synonyms
LM ID
LMPK12110902
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
MUUDYSFWQUSAOO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-13(2)5-8-16-20(28)12-21-22(23(16)29)24(30)18(9-6-14(3)4)25(31-21)17-10-7-15(26)11-19(17)27/h5-7,10-12,26-29H,8-9H2,1-4H3
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/C)=C(C3C=CC(O)=CC=3O)OC=1C=C(O)C(C/C=C(\C)/C)=C2O

Other Databases

CHEBI ID
68023
METABOLOMICS ID
FL3FALNI0013
PubChem CID
5319924

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 397.62
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 6.20
Molar Refractivity 120.96

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Updated at
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