Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009733

Phytochemical name: N-Methylcorydaldine

Synonymous chemical names:
n-methylcorydaldine

External chemical identifiers:
CID:CID_303906, ChEMBL:CHEMBL504722, ChEBI:CHEBI:67411, ZINC:ZINC000000487565, SureChEMBL:SCHEMBL11923834, MolPort-002-515-514

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Chemical structure information

SMILES:
COc1cc2c(cc1OC)CCN(C2=O)C

InChI:
InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3

InChIKey:
BDIZBBGNYDRCCA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))CCNC6=O))C

Functional groups:
cOC, cC(=O)N(C)C

Link to spectral information:
MSBNK-Washington_State_Univ-BML00784, MSBNK-Washington_State_Univ-BML00795, MSBNK-Washington_State_Univ-BML00806, MSBNK-Washington_State_Univ-BML81805, MSBNK-Washington_State_Univ-BML81807

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCCc2ccccc21

Scaffold Graph/Node level:
OC1NCCC2CCCCC21

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

ClassyFire Subclass: Isoquinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.37

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Chemical structure download