Summary

IMPPAT Phytochemical identifier: IMPHY016520

Phytochemical name: Avocadenofuran

Synonymous chemical names:
avocadenofuran

External chemical identifiers:
CID:6857792, ChEMBL:CHEMBL1608830, SureChEMBL:SCHEMBL2606224

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Chemical structure information

SMILES:
C=CCCCCCCCCCCCc1ccco1

InChI:
InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2

InChIKey:
KNKVJBRMGKXDGO-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCCCCcccco5

Functional groups:
C=CC, 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: 0.211

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Chemical structure download