Summary

IMPPAT Phytochemical identifier: IMPHY009566

Phytochemical name: Muricinine

Synonymous chemical names:
muricinine

External chemical identifiers:
CID:131750994

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Chemical structure information

SMILES:
COc1ccc2c(-c3c(O)c(OC)cc4c3C(C2)NCC4)c1O

InChI:
InChI=1S/C18H19NO4/c1-22-12-4-3-9-7-11-14-10(5-6-19-11)8-13(23-2)18(21)16(14)15(9)17(12)20/h3-4,8,11,19-21H,5-7H2,1-2H3

InChIKey:
POIRVLZGTSWEMG-UHFFFAOYSA-N

DeepSMILES:
COccccc-ccO)cOC))ccc6CC%10)NCC6))))))))))c6O

Functional groups:
CNC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.694

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Chemical structure download