Summary

IMPPAT Phytochemical identifier: IMPHY012625

Phytochemical name: 2,7-Dimethyloxepine

Synonymous chemical names:
2,7-dimethyl oxepine

External chemical identifiers:
CID:578868

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Chemical structure information

SMILES:
CC1=CC=CC=C(O1)C

InChI:
InChI=1S/C8H10O/c1-7-5-3-4-6-8(2)9-7/h3-6H,1-2H3

InChIKey:
SFVUIUUSVAMYPP-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CC=CO7)C

Functional groups:
CC1=CC=CC=C(C)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC=COC=C1

Scaffold Graph/Node level:
C1CCCOCC1

Scaffold Graph level:
C1CCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxacyclic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.695

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Chemical structure download