Summary

IMPPAT Phytochemical identifier: IMPHY007945

Phytochemical name: methyl (1S,2S,15E,18R)-15-ethylidene-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4,6,8-triene-17-carboxylate

Synonymous chemical names:
corymine

External chemical identifiers:
CID:5458920

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Chemical structure information

SMILES:
COC(=O)C12[C@H](O)O[C@H]3CC1/C(=CC)/CN1[C@@]43C2(CC1)c1ccccc1N4C

InChI:
InChI=1S/C22H26N2O4/c1-4-13-12-24-10-9-20-14-7-5-6-8-16(14)23(2)22(20,24)17-11-15(13)21(20,18(25)27-3)19(26)28-17/h4-8,15,17,19,26H,9-12H2,1-3H3/b13-4-/t15?,17-,19+,20?,21?,22-/m0/s1

InChIKey:
KRTMWLRPHKYUJX-ZDTBSNTCSA-N

DeepSMILES:
COC=O)C[C@H]O)O[C@H]CC6/C=CC))/CN[C@]7C%11CC5))cccccc6N9C

Functional groups:
C/C=C(C)C, COC(C)=O, C[C@H](O)OC, cN(C)[C@@](C)(C)N(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC34c5ccccc5NC23C2CC1C4CO2

Scaffold Graph/Node level:
CC1CN2CCC34C5CCCCC5NC23C2CC1C4CO2

Scaffold Graph level:
CC1CC2CCC34C5CCCCC5CC23C2CCC4C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.98

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Chemical structure download