Summary

IMPPAT Phytochemical identifier: IMPHY015934

Phytochemical name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran

Synonymous chemical names:
sesquirose furan

External chemical identifiers:
CID:5366078, ZINC:ZINC000014697015

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Chemical structure information

SMILES:
C/C(=CCc1occc1C)/CCC=C(C)C

InChI:
InChI=1S/C15H22O/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-16-15/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+

InChIKey:
CKUQXDUZAWSPOV-MDWZMJQESA-N

DeepSMILES:
C/C=CCcoccc5C))))))))/CCC=CC)C

Functional groups:
C/C=C(/C)C, CC=C(C)C, 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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.201

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Chemical structure download