Summary

IMPPAT Phytochemical identifier: IMPHY014150

Phytochemical name: Panaquinquecol 7

Synonymous chemical names:
pq-7(1-hydroxy-9,10-epoxy-3-oxo-heptadeca-4,6-diyne)

External chemical identifiers:
CID:9970687, ChEBI:169056

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Chemical structure information

SMILES:
CCCCCCCC1OC1CC#CC#CC(=O)CCO

InChI:
InChI=1S/C17H24O3/c1-2-3-4-5-8-11-16-17(20-16)12-9-6-7-10-15(19)13-14-18/h16-18H,2-5,8,11-14H2,1H3

InChIKey:
XEUPFPHHPCQXFV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC3CC#CC#CC=O)CCO

Functional groups:
CC#CC#CC(C)=O, CC1OC1C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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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: Oxygenated hydrocarbons

NP-Likeness score: 2.089

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Chemical structure download