Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005750

Phytochemical name: 1,8,11,14-Heptadecatetraene

Synonymous chemical names:
1,8,11,14-heptadecatetraene, aplotaxene

External chemical identifiers:
CID:CID_5319559, ZINC:ZINC000085487736, SureChEMBL:SCHEMBL1293125

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Chemical structure information

SMILES:
C=CCCCCC/C=C/C/C=C/C/C=C/CC

InChI:
InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6+,14-12+,17-15+

InChIKey:
JXRNMQDTJAQLAQ-LIFWOIOZSA-N

DeepSMILES:
C=CCCCCC/C=C/C/C=C/C/C=C/CC

Functional groups:
C=CC, C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.524

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Chemical structure download