Structure Database (LMSD)

Common Name
Genisteone
Systematic Name
7-β-D-glycopyranosyl-5,4'-dihydroxy-6-prenylisoflavone
Synonyms
  • 7-O-glucosylwighteone
LM ID
LMPK12050512
Formula
C26H28O10
Exact Mass
Calculate m/z
500.16825
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
Genista ephedroides (#123905)
Magnoliopsida (#3398)
Flavonoids from genista ephedroides,
J Nat Prod, 1998
Pubmed ID: 9834164

String Representations

InChiKey (Click to copy)
GOUJYQCSCPQKDS-OMJUENHASA-N
InChi (Click to copy)
InChI=1S/C26H28O10/c1-12(2)3-8-15-17(35-26-25(33)24(32)23(31)19(10-27)36-26)9-18-20(21(15)29)22(30)16(11-34-18)13-4-6-14(28)7-5-13/h3-7,9,11,19,23-29,31-33H,8,10H2,1-2H3/t19-,23-,24+,25-,26-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1C/C=C(/C)\C

Other Databases

PubChem CID
10791517

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 440.36
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 4.18
Molar Refractivity 131.94

Admin

Created at
21st Mar 2024
Updated at
21st Mar 2024