Phyto4Health

Onopordopicrin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL522604
PubChem: 6440861
IUPAC: [(3aR,4S,6Z,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Standard InChI: InChI=1S/C19H24O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,15-17,20-21H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16+,17+/m0/s1
Standard InChI Key: NOZAJYKZMCFNFG-DGKKXOEVSA-N
SMILES: OC/C/1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C/C(=CCC1)/C)OC(=O)C(=C)CO

Molecular propeties

AlogP: 1.59
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 2
Rotatable bonds: 4
Number of rings: 2
Molecular Weight: 348.16
Topological polar surface area: 93.1
Number of aromatic rings: 0
Fsp3: 0.474
Number of carbons: 19

Plant sources

Part of plant Plant name Ref.
PlantArctium lappa
PlantArctium lappa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.