Structure Database (LMSD)

Common Name
6,8-Diprenylgenistein
Systematic Name
Synonyms
LM ID
LMPK12050191
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
Status
Curated
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)
UCHYSPNEUSDFQR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

CHEBI ID
66263
METABOLOMICS ID
FLIAAANI0004
PubChem CID
480783

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
-