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](OC(=O)C)CInChI: InChI=1S/C23H28N2O5/c1-12(30-13(2)26)22-11-24(3)19-14-10-29-18(9-16(14)22)23(20(19)22)15-7-5-6-8-17(15)25(28-4)21(23)27/h5-8,12,14,16,18-20H,9-11H2,1-4H3/t12-,14+,16-,18+,19-,20+,22-,23+/m1/s1InChIKey: BTZWFBFZHHQPCI-ANBNLFSGSA-N
DeepSMILES: CONcccccc6[C@]C9=O))[C@H]OC[C@@H][C@@H][C@H]7[C@][C@@H]5C9))CN5C)))[C@H]OC=O)C)))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: CC(=O)OC; CN(C)C; 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
Synonymous chemical names:19-(r)-acetyldihydrogelsevirine
External chemical identifiers:CID:101601181
Chemical structure download