Phyto4Health

Clerosterol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL252365
PubChem: 5283638
IUPAC: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InChI Key: GHGKPLPBPGYSOO-FBZNIEFRSA-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]2CC=C2[C@]1(C)CC[C@@H](C2)O)C

Molecular propeties

AlogP: 7.94
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 4
Molecular Weight: 412.37
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.862
Number of carbons: 29

Plant sources

Part of plant Plant name Ref.
SemenJuglans regia

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.