Phyto4Health

Cyclolaudenol

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL376381
PubChem: 101729
IUPAC: (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Standard InChI: InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,26-,28+,29-,30+,31-/m0/s1
Standard InChI Key: IXHACUTUTOCSJE-HWTFXIFRSA-N
SMILES: CC(=C)[C@H](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](C2(C)C)O)C)C)C

Molecular propeties

AlogP: 8.41
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 5
Molecular Weight: 440.4
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.935
Number of carbons: 31

Plant sources

Part of plant Plant name Ref.
PlantPapaver somniferum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.