Summary

IMPPAT Phytochemical identifier: IMPHY003028

Phytochemical name: 13-Methoxydihydronitidine

Synonymous chemical names:
56-dihydro-6-methoxynitidine

External chemical identifiers:
CID:38845, ChEMBL:CHEMBL488612, SureChEMBL:SCHEMBL13103359

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Chemical structure information

SMILES:
COC1c2cc(OC)c(cc2-c2c(N1C)c1cc3OCOc3cc1cc2)OC

InChI:
InChI=1S/C22H21NO5/c1-23-21-13(6-5-12-7-19-20(8-14(12)21)28-11-27-19)15-9-17(24-2)18(25-3)10-16(15)22(23)26-4/h5-10,22H,11H2,1-4H3

InChIKey:
SZEOMBMBHCBJJE-UHFFFAOYSA-N

DeepSMILES:
COCcccOC))ccc6-ccN%10C))cccOCOc5cc9cc%13)))))))))))))))OC

Functional groups:
c1cOCO1, cC(OC)N(c)C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CNc1c-2ccc2cc3c(cc12)OCO3

Scaffold Graph/Node level:
C1CCC2C(C1)CNC1C3CC4OCOC4CC3CCC21

Scaffold Graph level:
C1CC2CC3CCC4C5CCCCC5CCC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.05

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Chemical structure download