Summary
IMPPAT Phytochemical identifier: IMPHY012677
Phytochemical name: Isocorynoxeine
Synonymous chemical names:isocorynoxeine
External chemical identifiers:CID:3037448, ChEMBL:CHEMBL481359, ZINC:ZINC000033754036, FDASRS:J18B596D11, MolPort-027-720-878
Chemical structure information
SMILES:
CO/C=C([C@H]1C[C@@H]2N(C[C@@H]1C=C)CC[C@]12C(=O)Nc2c1cccc2)/C(=O)OCInChI:
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/s1InChIKey:
MUVGVMUWMAGNSY-VKCGGMIFSA-NDeepSMILES:
CO/C=C[C@H]C[C@@H]NC[C@@H]6C=C))))CC[C@@]5C=O)Ncc5cccc6)))))))))))))))/C=O)OCFunctional groups:
C=CC, CN(C)C, CO/C=C(C)C(=O)OC, cNC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1Nc2ccccc2C12CCN1CCCCC12Scaffold Graph/Node level:
OC1NC2CCCCC2C12CCN1CCCCC12Scaffold Graph level:
CC1CC2CCCCC2C12CCC1CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Indolizidines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Simple oxindole alkaloids
NP-Likeness score: 1.973
Chemical structure download
