Phyto4Health

Gitogenin

Representations & DB's id

ChEBI: CHEBI:5363
ChEMBL: CHEMBL1770687
PubChem: 441887
IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
Standard InChI: InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1
Standard InChI Key: FWCXELAAYFYCSR-RYKNUXCGSA-N
SMILES: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)C[C@H]([C@@H](C3)O)O)C

Molecular propeties

AlogP: 4.76
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 432.32
Topological polar surface area: 58.9
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantTrigonella foenum-graecum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.