Summary
SMILES: C/C=C1/[C@@H](O)N2[C@@H]3C4[C@H]1C[C@H]2[C@H]1[C@@](C4OC(=O)C)(C3)c2c(N1)cccc2InChI: InChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,18-,19?,20+,21+/m0/s1InChIKey: DRMGJVPVCAJMDJ-OOGCYBINSA-N
DeepSMILES: C/C=C/[C@@H]O)N[C@@H]C[C@H]/6C[C@H]6[C@H][C@@]C7OC=O)C))))C8)ccN5)cccc6
Scaffold Graph/Node/Bond level: C=C1CN2C3CC45CC3C1CC2C4Nc1ccccc15
Scaffold Graph/Node level: CC1CN2C3CC45CC3C1CC2C4NC1CCCCC15
Scaffold Graph level: CC1CC2C3CC45CC3C1CC2C4CC1CCCCC15
Functional groups: C/C=C(C)[C@@H](O)N(C)C; COC(C)=O; cNC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Ajmaline-sarpagine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type
Synonymous chemical names:1,2-dihydrovomilenine, 1,2-dihydrovomilenine reductase
External chemical identifiers:CID:11953964; ChEBI:17372
Chemical structure download