Structure Database (LMSD)

O O O O HO OH O O
Common Name
Isocaviunin
Systematic Name
5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone
Synonyms
LM ID
LMPK12050440
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
FOPJFQPWIUNSAB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-13-7-15(25-3)14(24-2)5-9(13)10-8-27-19-16(17(10)22)11(20)6-12(21)18(19)26-4/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC=C(C3C=C(OC)C(OC)=CC=3OC)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

METABOLOMICS ID
FLIAFLNS0001
PubChem CID
15559891

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

Admin

Created at
-
Updated at
-