Phyto4Health

Dehydrooopodin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL399290
PubChem: 44445508
IUPAC: [(3aS,5aS,6R,9aR,9bR)-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,9a,9b-hexahydrobenzo[g][1]benzofuran-6-yl] (E)-2-methylbut-2-enoate
Standard InChI: InChI=1S/C20H24O4/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/h6-8,14-17H,3-4,9-10H2,1-2,5H3/b11-6+/t14-,15+,16-,17+,20+/m0/s1
Standard InChI Key: JBUBIHUTEIWJSH-FWLQYUPBSA-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)C1=C)C

Molecular propeties

AlogP: 3.5
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 0
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 328.17
Topological polar surface area: 52.6
Number of aromatic rings: 0
Fsp3: 0.5
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.