Summary

IMPPAT Phytochemical identifier: IMPHY017237

Phytochemical name: Furylpropyl ketone

Synonymous chemical names:
furyl propyl ketone+

External chemical identifiers:
CID:25021690

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Chemical structure information

SMILES:
O=C(CCCc1ccco1)CCCc1ccco1

InChI:
InChI=1S/C15H18O3/c16-13(5-1-7-14-9-3-11-17-14)6-2-8-15-10-4-12-18-15/h3-4,9-12H,1-2,5-8H2

InChIKey:
ZBGMIPWQNKUQOU-UHFFFAOYSA-N

DeepSMILES:
O=CCCCcccco5))))))))CCCcccco5

Functional groups:
CC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCc1ccco1)CCCc1ccco1

Scaffold Graph/Node level:
OC(CCCC1CCCO1)CCCC1CCCO1

Scaffold Graph level:
CC(CCCC1CCCC1)CCCC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.09

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Chemical structure download