Structure Database (LMSD)

Common Name
2'-Hydroxydaidzein
Systematic Name
7,2',4'-Trihydroxyisoflavone
Synonyms
LM ID
LMPK12050083
Formula
C15H10O5
Exact Mass
Calculate m/z
270.052825
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/
Phaseolus vulgaris (#3885)
Magnoliopsida (#3398)
Phaseollin formation and metabolism in Phaseolus vulgaris,
Phytochemistry, 1980

String Representations

InChiKey (Click to copy)
ZCTNPCRBEWXCGP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=CC(O)=CC=3O)C(=O)C=2C=C1

Other Databases

KEGG ID
C02495
HMDB ID
HMDB0029372
CHEBI ID
27479
METABOLOMICS ID
FLIA1LNS0003
PubChem CID
5280520

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 221.11
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 73.02

Admin

Created at
-
Updated at
12th Nov 2024