Summary

IMPPAT Phytochemical identifier: IMPHY016521

Phytochemical name: Avocadienofuran

Synonymous chemical names:
avocadienofuran

External chemical identifiers:
CID:131751100, ZINC:ZINC000014771609

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Chemical structure information

SMILES:
C=CCCCCCCCCC/C=Cc1ccco1

InChI:
InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,12-16H,1,3-11H2/b14-12-

InChIKey:
MGNABOKOTWYILU-OWBHPGMISA-N

DeepSMILES:
C=CCCCCCCCCC/C=Ccccco5

Functional groups:
C=CC, c/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 Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.437

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Chemical structure download