Summary
SMILES: O=C[C@@H]1[C@H](C)OC[C@@H]2[C@H]1C[C@@H]1N([C@H]2Cc2c1n(C)c1c2cccc1)CInChI: InChI=1S/C21H26N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,10,12,14,16-17,19-20H,8-9,11H2,1-3H3/t12-,14-,16+,17+,19-,20-/m0/s1InChIKey: NTXSRNQQLHZNTH-YONURWJNSA-N
DeepSMILES: O=C[C@@H][C@H]C)OC[C@@H][C@H]6C[C@@H]N[C@H]6Ccc6nC)cc5cccc6)))))))))))C
Scaffold Graph/Node/Bond level: c1ccc2c3c([nH]c2c1)C1CC2CCOCC2C(C3)N1
Scaffold Graph/Node level: C1CCC2C(C1)NC1C3CC4CCOCC4C(CC21)N3
Scaffold Graph level: C1CCC2C(C1)CC1CC2CC2C3CCCCC3CC12
Functional groups: CC=O; CN(C)C; COC; cn(c)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Macroline alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Carboline alkaloids|Corynanthe type
Synonymous chemical names:talcarpine
External chemical identifiers:CID:11131571; ChEMBL:CHEMBL2332140; ZINC:ZINC000038287545
Chemical structure download