Summary

IMPPAT Phytochemical identifier: IMPHY017679

Phytochemical name: 2-Tridecylfuran

Synonymous chemical names:
avogadenofuran

External chemical identifiers:
CID:6857795, SureChEMBL:SCHEMBL8760627

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Chemical structure information

SMILES:
CCCCCCCCCCCCCc1ccco1

InChI:
InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h13,15-16H,2-12,14H2,1H3

InChIKey:
LFPGJDSJDXWCIJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCcccco5

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-Likeness score: -0.145

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Chemical structure download