Phyto4Health

7-Oxositosterol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL254780
PubChem: 160608
IUPAC: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Standard InChI: InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
Standard InChI Key: ICFXJOAKQGDRCT-ZIHMWMKCSA-N
SMILES: CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(=O)C=C2[C@]1(C)CC[C@@H](C2)O)C

Molecular propeties

AlogP: 7.2
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 4
Molecular Weight: 428.37
Topological polar surface area: 37.3
Number of aromatic rings: 0
Fsp3: 0.897
Number of carbons: 29

Plant sources

Part of plant Plant name Ref.
PlantGentiana lutea
PlantSalix alba
PlantMalva rotundifolia
PlantConium maculatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.