Structure Database (LMSD)

Common Name
Orobol
Systematic Name
5,7,3',4'-Tetrahydroxyisoflavone
Synonyms
  • Norsantal
LM ID
LMPK12050251
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
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)
IOYHCQBYQJQBSK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
SMILES (Click to copy)
C1(O)=CC2OC=C(C3=CC(O)=C(O)C=C3)C(=O)C=2C(O)=C1

Other Databases

Wikipedia
Orobol
KEGG ID
C10510
HMDB ID
HMDB0041658
CHEBI ID
69437
METABOLOMICS ID
FLIAACNS0001
PubChem CID
5281801

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.90
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.18
Molar Refractivity 74.69

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Updated at
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