Phyto4Health

Lanosterol

Representations & DB's id

ChEBI: CHEBI:16521
ChEMBL: CHEMBL225111
PubChem: 246983
IUPAC: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Standard InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
Standard InChI Key: CAHGCLMLTWQZNJ-BQNIITSRSA-N
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C

Molecular propeties

AlogP: 8.48
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 426.39
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.867
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantTaraxacum officinale

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency12589.3 nMPeroxisome proliferator-activated receptor alphaQ07869