Phyto4Health

Cycloeucalenol

Representations & DB's id

ChEBI: CHEBI:16653
ChEMBL: CHEMBL225634
PubChem: 101690
IUPAC: (1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Standard InChI: InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1
Standard InChI Key: HUNLTIZKNQDZEI-PGFZVWMDSA-N
SMILES: C=C(C(C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H]([C@H]2C)O)C)C

Molecular propeties

AlogP: 8.02
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 5
Molecular Weight: 426.39
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.933
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantPapaver commutatum
PlantBidens tripartita

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.