Summary

IMPPAT Phytochemical identifier: IMPHY002674

Phytochemical name: Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-13-methyl-

Synonymous chemical names:
corysamine

External chemical identifiers:
CID:147329, ChEMBL:CHEMBL3558290

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Chemical structure information

SMILES:
Cc1c2-c3cc4OCOc4cc3CC[n+]2cc2c1ccc1c2OCO1

InChI:
InChI=1S/C20H16NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-8H,4-5,9-10H2,1H3/q+1

InChIKey:
YESPQCLKTIRGLU-UHFFFAOYSA-N

DeepSMILES:
Ccc-cccOCOc5cc9CC[n+]%13ccc%17cccc6OCO5

Functional groups:
c1cOCO1, c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4

Scaffold Graph/Node level:
C1OC2CC3CCN4CC5C(CCC6OCOC65)CC4C3CC2O1

Scaffold Graph level:
C1CC2CC3CCC4CC5C(CCC6CCCC65)CC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Protoberberine alkaloids

NP-Likeness score: 1.405

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Chemical structure download