Summary

IMPPAT Phytochemical identifier: IMPHY001717

Phytochemical name: Perlolyrine

Synonymous chemical names:
perlolyrine

External chemical identifiers:
CID:160179, ChEMBL:CHEMBL501991, ChEBI:69444, SureChEMBL:SCHEMBL3919519

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Chemical structure information

SMILES:
OCc1ccc(o1)c1nccc2c1[nH]c1c2cccc1

InChI:
InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2

InChIKey:
KFUCYPGCMLPUMT-UHFFFAOYSA-N

DeepSMILES:
OCcccco5)cncccc6[nH]cc5cccc6

Functional groups:
CO, c[nH]c, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(-c2nccc3c2[nH]c2ccccc23)c1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCNC1C1CCCO1

Scaffold Graph level:
C1CCC2C(C1)CC1C(C3CCCC3)CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.291

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Chemical structure download