Summary
SMILES: COC(=O)[C@H]1[C@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2c(OC)ccc1InChI: InChI=1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14+,16+,17-,20-/m1/s1InChIKey: WMMZYEBFJWWUJX-MRNIIBAQSA-N
DeepSMILES: COC=O)[C@H][C@H]O)CC[C@H][C@@H]6C[C@@H]NC6)CCcc6[nH]cc5cOC))ccc6
Scaffold Graph/Node/Bond level: c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3
Scaffold Graph/Node level: C1CCC2CN3CCC4C5CCCCC5NC4C3CC2C1
Scaffold Graph level: C1CCC2CC3C(CCC4C5CCCCC5CC34)CC2C1
Functional groups: CN(C)C; CO; COC(C)=O; cOC; c[nH]c
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Yohimbine alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Yohimbine-like alkaloids
Synonymous chemical names:16-epialstovenine, 16-epivenenatine
External chemical identifiers:CID:66577094; ZINC:ZINC000014827790
Chemical structure download