Structure Database (LMSD)

Common Name
6,8-Diprenylpratensein
Systematic Name
5,7,3'-Trihydroxy-4'-methoxy-6,8-diprenylisoflavone
Synonyms
LM ID
LMPK12050261
Formula
C26H28O6
Exact Mass
Calculate m/z
436.18859
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)
RVGWAFYRNOYXPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-14(2)6-9-17-23(28)18(10-7-15(3)4)26-22(24(17)29)25(30)19(13-32-26)16-8-11-21(31-5)20(27)12-16/h6-8,11-13,27-29H,9-10H2,1-5H3
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C(O)C2C(=O)C(C3=CC(O)=C(OC)C=C3)=COC=2C=1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FLIAAENI0001
PubChem CID
13916925

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 414.92
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.50
Molar Refractivity 125.84

Admin

Created at
-
Updated at
-