Summary

IMPPAT Phytochemical identifier: IMPHY003106

Phytochemical name: 7-Phenyl-2,4,6-heptatriyn-1-ol

Synonymous chemical names:
7-phenyl-2,4,6-heptatriyn-1-ol

External chemical identifiers:
CID:3085176, ZINC:ZINC000014651882, SureChEMBL:SCHEMBL9487985

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Chemical structure information

SMILES:
OCC#CC#CC#Cc1ccccc1

InChI:
InChI=1S/C13H8O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11,14H,12H2

InChIKey:
OBLAWABLSMUERW-UHFFFAOYSA-N

DeepSMILES:
OCC#CC#CC#Ccccccc6

Functional groups:
CO, cC#CC#CC#CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.972

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Chemical structure download