Structure Database (LMSD)

Common Name
Gangetinin
Systematic Name
[ 6bR,(-)]-6bβ,14bβ-Dihydro-14-methoxy-3,3,11,11-tetramethyl-3H,7H,11H-[1]benzopyrano[6',5':4,5]furo[3,2-c]pyrano[3,2-g][1]benzopyran
Synonyms
LM ID
LMPK12070098
Formula
C26H26O5
Exact Mass
Calculate m/z
418.178025
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)
Gangetinin and desmodin, two minor pterocarpanoids of Desmodium gangeticum,
Phytochemistry, 1975

String Representations

InChiKey (Click to copy)
GYTBWEWXRFODTH-BXKMTCNYSA-N
InChi (Click to copy)
InChI=1S/C26H26O5/c1-25(2)10-8-15-18(30-25)7-6-14-17-13-28-20-12-19-16(9-11-26(3,4)31-19)23(27-5)21(20)24(17)29-22(14)15/h6-12,17,24H,13H2,1-5H3/t17-,24+/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1[C@]3([H])OC4=C5C=CC(C)(C)OC5=CC=C4[C@]3([H])COC=1C=2

Other Databases

CHEBI ID
185634
METABOLOMICS ID
FLIDBANP0002
PubChem CID
101316460

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 6
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 385.23
Topological Polar Surface Area 54.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 6.53
Molar Refractivity 120.04

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Created at
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Updated at
19th Dec 2025