Structure Database (LMSD)

Common Name
7-O-Methyltectorigenin
Systematic Name
5,4'-Dihydroxy-6,7-dimethoxyisoflavone
Synonyms
LM ID
LMPK12050388
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JDKYUORVNMYEIK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
70033
METABOLOMICS ID
FLIAEANS0006
PubChem CID
5487785

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.46

Admin

Created at
-
Updated at
-