Phyto4Health

Oopodin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL251250
PubChem: 40530726
IUPAC: [(3R,3aS,5aS,6R,9aR,9bR)-3,5a-dimethyl-9-methylidene-2-oxo-3a,4,5,6,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-6-yl] (E)-2-methylbut-2-enoate
Standard InChI: InChI=1S/C20H26O4/c1-6-11(2)18(21)23-15-8-7-12(3)16-17-14(9-10-20(15,16)5)13(4)19(22)24-17/h6-8,13-17H,3,9-10H2,1-2,4-5H3/b11-6+/t13-,14+,15-,16+,17-,20-/m1/s1
Standard InChI Key: AOKVPXZYQSAPMF-CFXDCANBSA-N
SMILES: C/C=C(/C(=O)O[C@@H]1C=CC(=C)[C@@H]2[C@]1(C)CC[C@@H]1[C@H]2OC(=O)[C@@H]1C)C

Molecular propeties

AlogP: 3.58
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 330.18
Topological polar surface area: 52.6
Number of aromatic rings: 0
Fsp3: 0.6
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantFerula varia

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.