Summary

IMPPAT Phytochemical identifier: IMPHY005221

Phytochemical name: 16-Methoxystrychnine

Synonymous chemical names:
methoxystrychinine

External chemical identifiers:
CID:21723445, ZINC:ZINC000095876291

---

Chemical structure information

SMILES:
CO[C@@]12C[C@H]3C4=CCO[C@@H]5[C@H]3[C@H]3[C@]2(CCN1C4)c1ccccc1N3C(=O)C5

InChI:
InChI=1S/C22H24N2O3/c1-26-22-11-14-13-6-9-27-17-10-18(25)24-16-5-3-2-4-15(16)21(22,20(24)19(14)17)7-8-23(22)12-13/h2-6,14,17,19-20H,7-12H2,1H3/t14-,17-,19-,20-,21-,22+/m0/s1

InChIKey:
BMDMNLBIKSAWCI-FCGMOTLLSA-N

DeepSMILES:
CO[C@]C[C@H]C=CCO[C@@H][C@H]7[C@H][C@]%11CCN%14C%12))))cccccc6N9C=O)C%13

Functional groups:
CC=C(C)C, COC, CO[C@](C)(C)N(C)C, cN(C)C(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46

Scaffold Graph/Node level:
OC1CC2OCCC3CN4CCC56C7CCCCC7N1C5C2C3CC46

Scaffold Graph level:
CC1CC2CCCC3CC4CCC56C4CC3C2C5C1C1CCCCC16

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Strychnos alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Aspidosperma-Iboga hybrid type (Vinca alkaloids), Strychnos type

NP-Likeness score: 2.657

---

Chemical structure download