Summary
SMILES: CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)NInChI: InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1InChIKey: GENAHGKEFJLNJB-QMTHXVAHSA-N
DeepSMILES: CNC[C@@H]C=C[C@H]6Ccc[nH]cc5c9ccc6)))))))))))))C=O)N
Scaffold Graph/Node/Bond level: C1=C2c3cccc4[nH]cc(c34)CC2NCC1
Scaffold Graph/Node level: C1CNC2CC3CNC4CCCC(C2C1)C34
Scaffold Graph level: C1CCC2C(C1)CC1CCC3CCCC2C31
Functional groups: CC(N)=O; CN(C)C; cC(C)=CC; c[nH]c
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Ergoline and derivatives
ClassyFire Subclass: Lysergic acids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Ergot alkaloids
Synonymous chemical names:ergine, lysergic acid amide
External chemical identifiers:CID:442072; ChEMBL:CHEMBL227213; ChEBI:4819; ZINC:ZINC000056727892; FDASRS:073830XH10; SureChEMBL:SCHEMBL183540
Chemical structure download