Summary
SMILES: CON1c2ccccc2[C@]2(C1=O)[C@H]1OC[C@@H]3[C@@H]4[C@H]2[C@]([C@@H]3C1)(CN4C)[C@H](O)CInChI: InChI=1S/C21H26N2O4/c1-11(24)20-10-22(2)17-12-9-27-16(8-14(12)20)21(18(17)20)13-6-4-5-7-15(13)23(26-3)19(21)25/h4-7,11-12,14,16-18,24H,8-10H2,1-3H3/t11-,12+,14-,16+,17-,18+,20-,21+/m1/s1InChIKey: HNTFOMODUWFBCP-TYFSPFAISA-N
DeepSMILES: CONcccccc6[C@]C9=O))[C@H]OC[C@@H][C@@H][C@H]7[C@][C@@H]5C9))CN5C)))[C@H]O)C
Scaffold Graph/Node/Bond level: O=C1Nc2ccccc2C12C1CC3C(CO1)C1NCC3C12
Scaffold Graph/Node level: OC1NC2CCCCC2C12C1CC3C(CO1)C1NCC3C12
Scaffold Graph level: CC1CC2CCCCC2C12C1CCC3C(C1)C1CCC3C12
Functional groups: CN(C)C; CO; COC; cN(OC)C(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Gelsemium alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Strychnos type
Synonymous chemical names:19-(r)-hydroxydihydrogelsevirine
External chemical identifiers:CID:101601180
Chemical structure download