Phyto4Health

Tigogenin

Representations & DB's id
ChEBI: CHEBI:9595
ChEMBL: CHEMBL43871
PubChem: 99516
IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Standard InChI: InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
Standard InChI Key: GMBQZIIUCVWOCD-MFRNJXNGSA-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)CC[C@@H](C3)O)C

Molecular propeties
AlogP: 5.79
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 416.33
Topological polar surface area: 38.7
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
SeedTrigonella foenum-graecum
PericarpTrigonella foenum-graecum
LeafTrigonella foenum-graecum
StemTrigonella foenum-graecum
RootTrigonella foenum-graecum
Tissue CultureTrigonella foenum-graecum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others0 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others95 pm/min/mgUDP-glucuronosyltransferase 1A4P22310