Phyto4Health

Isorhynchophylline

Representations & DB's id

ChEBI: CHEBI:70071
ChEMBL: CHEMBL480521
PubChem: 3037048
IUPAC: methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-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/C22H28N2O4/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/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
Standard InChI Key: DAXYUDFNWXHGBE-VKCGGMIFSA-N
SMILES: CO/C=C([C@H]1C[C@@H]2N(C[C@@H]1CC)CC[C@]12C(=Nc2c1cccc2)O)/C(=O)OC

Molecular propeties

AlogP: 2.7
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 384.2
Topological polar surface area: 67.9
Number of aromatic rings: 1
Fsp3: 0.545
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantPapaver commutatum
PlantPapaver commutatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.