Summary

IMPPAT Phytochemical identifier: IMPHY016195

Phytochemical name: 1,6-Heptadien-4-OL

Synonymous chemical names:
1,6-heptadien-4-ol

External chemical identifiers:
CID:17902, ZINC:ZINC000001632707, SureChEMBL:SCHEMBL347521, MolPort-003-925-925

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Chemical structure information

SMILES:
C=CCC(CC=C)O

InChI:
InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2

InChIKey:
UTGFOWQYZKTZTN-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=C)))O

Functional groups:
C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP-Likeness score: 1.105

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Chemical structure download