Structure Database (LMSD)

Common Name
Gangetin
Systematic Name
(7aR)-7aα,12aα-Dihydro-13-methoxy-3,3-dimethyl-11-(3-methyl-2-butenyl)-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-10-ol
Synonyms
LM ID
LMPK12070099
Formula
C26H28O5
Exact Mass
Calculate m/z
420.193676
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Pleurolobus gangeticus (#670324)
Magnoliopsida (#3398)
The structure and stereochemistry of gangetin, a new pterocarpan from Desmodium gangeticum(Leguminosae),
J Chem Soc C, 1971

String Representations

InChiKey (Click to copy)
FUNJPZFUOULIEZ-AVRWGWEMSA-N
InChi (Click to copy)
InChI=1S/C26H28O5/c1-14(2)6-7-16-19(27)9-8-15-18-13-29-21-12-20-17(10-11-26(3,4)31-20)24(28-5)22(21)25(18)30-23(15)16/h6,8-12,18,25,27H,7,13H2,1-5H3/t18-,25+/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1[C@]3([H])OC4=C(C/C=C(/C)\C)C(O)=CC=C4[C@]3([H])COC=1C=2

Other Databases

CHEBI ID
185464
METABOLOMICS ID
FLIDBANP0003
PubChem CID
54604512

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 397.59
Topological Polar Surface Area 63.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 6.27
Molar Refractivity 120.58

Admin

Created at
-
Updated at
4th Feb 2026