Summary

IMPPAT Phytochemical identifier: IMPHY013326

Phytochemical name: Piperidinylbenzopyranone

Synonymous chemical names:
piperidinylbenzopyranone

External chemical identifiers:
CID:22142121, SureChEMBL:SCHEMBL5867498

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Chemical structure information

SMILES:
O=c1oc2ccccc2cc1N1CCCCC1

InChI:
InChI=1S/C14H15NO2/c16-14-12(15-8-4-1-5-9-15)10-11-6-2-3-7-13(11)17-14/h2-3,6-7,10H,1,4-5,8-9H2

InChIKey:
OMIKFYMTCNIDQF-UHFFFAOYSA-N

DeepSMILES:
O=cocccccc6cc%10NCCCCC6

Functional groups:
c=O, cN(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2cc1N1CCCCC1

Scaffold Graph/Node level:
OC1OC2CCCCC2CC1N1CCCCC1

Scaffold Graph level:
CC1CC2CCCCC2CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: -0.483

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Chemical structure download