Structure Database (LMSD)

Common Name
8-Hydroxydaidzein
Systematic Name
7,8,4'-Trihydroxyisoflavone
Synonyms
LM ID
LMPK12050137
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/

String Representations

InChiKey (Click to copy)
BMZFZTMWBCFKSS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
SMILES (Click to copy)
C1(O)C=CC2C(=O)C(C3=CC=C(O)C=C3)=COC=2C=1O

Other Databases

HMDB ID
HMDB0033860
CHEBI ID
174540
METABOLOMICS ID
FLIA3ANS0004
PubChem CID
5466139

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

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