Summary
SMILES: Oc1ccc2c(c1)c1CCN3[C@@H](c1[nH]2)N(C)c1c(C3=O)cccc1InChI: InChI=1S/C19H17N3O2/c1-21-16-5-3-2-4-13(16)19(24)22-9-8-12-14-10-11(23)6-7-15(14)20-17(12)18(21)22/h2-7,10,18,20,23H,8-9H2,1H3/t18-/m0/s1InChIKey: XYSMNZWLVJYABK-SFHVURJKSA-N
DeepSMILES: Occcccc6)cCCN[C@@H]c6[nH]9))NC)ccC6=O))cccc6
Scaffold Graph/Node/Bond level: O=C1c2ccccc2NC2c3[nH]c4ccccc4c3CCN12
Scaffold Graph/Node level: OC1C2CCCCC2NC2C3NC4CCCCC4C3CCN12
Scaffold Graph level: CC1C2CCCCC2CC2C1CCC1C3CCCCC3CC12
Functional groups: cO; c[C@H]1N(C)ccC(=O)N1C; c[nH]c
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Indoles and derivatives
ClassyFire Subclass: Pyridoindoles
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Anthranilic acid alkaloids
NP Classifier Class: Benzodiazepine alkaloids
Synonymous chemical names:evodiamine, hydroxy, hydroxyevodiamine
External chemical identifiers:CID:71307457; ZINC:ZINC000087493235
Chemical structure download