Summary

IMPPAT Phytochemical identifier: IMPHY015263

Phytochemical name: 2-Heptylfuran

Synonymous chemical names:
2-heptylfuran

External chemical identifiers:
CID:19603, ChEBI:167091, ZINC:ZINC000095619429, FDASRS:7W55A39QXM, SureChEMBL:SCHEMBL1868812, MolPort-001-767-622

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Chemical structure information

SMILES:
CCCCCCCc1ccco1

InChI:
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3

InChIKey:
BHTUFJXTYNLISA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCcccco5

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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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: -0.217

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Chemical structure download