Summary

IMPPAT Phytochemical identifier: IMPHY009960

Phytochemical name: Dehydro-isoeugenol

Synonymous chemical names:
dehydroisoeugenol, isoeugenol dehydro

External chemical identifiers:
CID:129668758

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Chemical structure information

SMILES:
C/C=C/C1=CC(=C(C#C1)O)OC

InChI:
InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-4,7,11H,1-2H3/b4-3+

InChIKey:
ZXZXBGGFZKIQHC-ONEGZZNKSA-N

DeepSMILES:
C/C=C/C=CC=CC#C6))O))OC

Functional groups:
c/C=C/C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc#1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

NP-Likeness score: 0.866

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Chemical structure download