Structure Database (LMSD)

Common Name
3',5'-Diprenylgenistein
Systematic Name
5,7,4'-Trihydroxy-3',5'-diprenylisoflavone
Synonyms
LM ID
LMPK12050194
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
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)
BGFLPCCZHOCCKB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-14(2)5-7-16-9-18(10-17(24(16)28)8-6-15(3)4)20-13-30-22-12-19(26)11-21(27)23(22)25(20)29/h5-6,9-13,26-28H,7-8H2,1-4H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=CC(C/C=C(\C)/C)=C(O)C(C/C=C(\C)/C)=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAAANI0007
PubChem CID
44257287

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 388.83
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 6.49
Molar Refractivity 119.29

Admin

Created at
-
Updated at
-