Phyto4Health

Cycloartenone

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL226084
PubChem: 12305360
IUPAC: (1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Standard InChI: InChI=1S/C30H48O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-24H,8,10-19H2,1-7H3/t21-,22-,23+,24+,27-,28+,29-,30+/m1/s1
Standard InChI Key: NAJCQAAOHKVCES-ZZOQNIIDSA-N
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CCC(=O)C2(C)C)C)C)C

Molecular propeties

AlogP: 8.38
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 0
Rotatable bonds: 4
Number of rings: 5
Molecular Weight: 424.37
Topological polar surface area: 17.1
Number of aromatic rings: 0
Fsp3: 0.9
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
Latex ExudatePapaver somniferum
Latex ExudatePapaver somniferum
PlantNicotiana tabacum
PlantNicotiana tabacum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.