Phyto4Health

Spirostan-3-one, (5alpha,25R)-

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1770684
PubChem: 101692
IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
Standard InChI: InChI=1S/C27H42O3/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/h16-18,20-24H,5-15H2,1-4H3/t16-,17+,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
Standard InChI Key: CIBAPVLFORANSS-AIEOQHCFSA-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)CCC(=O)C3)C

Molecular propeties

AlogP: 6
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 6
Molecular Weight: 414.31
Topological polar surface area: 35.5
Number of aromatic rings: 0
Fsp3: 0.963
Number of carbons: 27

Plant sources

Part of plant Plant name Ref.
PlantTrigonella foenum-graecum
PlantSolanum dulcamara

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.