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Isocorynoxeine

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL481359
PubChem: 3037448
IUPAC: methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Standard InChI: InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
Standard InChI Key: MUVGVMUWMAGNSY-VKCGGMIFSA-N
SMILES: CO/C=C([C@H]1C[C@@H]2N(C[C@@H]1C=C)CC[C@]12C(=Nc2c1cccc2)O)/C(=O)OC

Molecular propeties

AlogP: 2.48
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 382.19
Topological polar surface area: 67.9
Number of aromatic rings: 1
Fsp3: 0.455
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantCapsicum annuum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.