Summary

IMPPAT Phytochemical identifier: IMPHY012679

Phytochemical name: Piperolactam A

Synonymous chemical names:
piperolactam a

External chemical identifiers:
CID:3081016, ChEMBL:CHEMBL387864, ChEBI:174488, ZINC:ZINC000013484719, MolPort-005-945-747

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Chemical structure information

SMILES:
COc1cc2C(=O)Nc3c2c(c1O)c1ccccc1c3

InChI:
InChI=1S/C16H11NO3/c1-20-12-7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15(12)18/h2-7,18H,1H3,(H,17,19)

InChIKey:
KBGNBPGXVKPRQI-UHFFFAOYSA-N

DeepSMILES:
COcccC=O)Ncc5cc9O))cccccc6c%10

Functional groups:
cNC(c)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2cc3ccccc3c3cccc1c23

Scaffold Graph/Node level:
OC1NC2CC3CCCCC3C3CCCC1C23

Scaffold Graph level:
CC1CC2CC3CCCCC3C3CCCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aristolactams

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.004

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Chemical structure download