Summary

IMPPAT Phytochemical identifier: IMPHY010760

Phytochemical name: Tetradeca-4,6-diene-8,10,12-triyne-1-ol

Synonymous chemical names:
tetradeca-4,6-diene-8,10,12-triyne-1-ol

Chemical structure information

SMILES:
CC#CC#CC#C/C=C/C1OC1CCCO

InChI:
InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-10-13-14(16-13)11-9-12-15/h8,10,13-15H,9,11-12H2,1H3/b10-8+

InChIKey:
CYDWHOCCNIFEEG-CSKARUKUSA-N

DeepSMILES:
CC#CC#CC#C/C=C/COC3CCCO

Functional groups:
CC#CC#CC#C/C=C/C1OC1C, 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: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 3.417

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Chemical structure download