Structure Database (LMSD)

Common Name
2'-Hydroxydihydrodaidzein
Systematic Name
7,2',4'-Trihydroxyisoflavanone
Synonyms
LM ID
LMPK12050463
Status
Active
Exact Mass
Calculate m/z
272.068475
Formula
C15H12O5
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
WBOWBLGZAXVREM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H2
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

KEGG ID
C03567
HMDB ID
HMDB0033928
CHEBI ID
16035
METABOLOMICS ID
FLIB1LNS0003
PubChem CID
440047

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 234.65
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.45
Molar Refractivity 70.93

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Updated at
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