Summary

IMPPAT Phytochemical identifier: IMPHY002872

Phytochemical name: Piperolactam D

Synonymous chemical names:
piperolactam d, piperolactam d(10-amino-2-hydroxy-3,4-dimethoxyphenanthrene-1-carboxylic acid lactam)

External chemical identifiers:
CID:14039008, ChEBI:174802, ZINC:ZINC000014779271, MolPort-005-945-748

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Chemical structure information

SMILES:
COc1c(OC)c2C(=O)Nc3c2c(c1O)c1ccccc1c3

InChI:
InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)

InChIKey:
PHKYZFGDNGACRM-UHFFFAOYSA-N

DeepSMILES:
COccOC))cC=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: 1.203

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Chemical structure download