Phyto4Health

15-Acetoxyisocupressic Acid

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL457161
PubChem: 14287147
IUPAC: (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Standard InChI: InChI=1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,18-19H,2,6-10,12-14H2,1,3-5H3,(H,24,25)/b15-11+/t18-,19+,21+,22-/m0/s1
Standard InChI Key: HSANNLXBHKRHSH-LMUCYUMOSA-N
SMILES: C/C(=CCOC(=O)C)/CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O

Molecular propeties

AlogP: 5.14
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 2
Molecular Weight: 362.25
Topological polar surface area: 63.6
Number of aromatic rings: 0
Fsp3: 0.727
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantOnonis spinosa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.