Summary

IMPPAT Phytochemical identifier: IMPHY010067

Phytochemical name: Anacyclin

Synonymous chemical names:
anacyclin

External chemical identifiers:
CID:5281131, ChEBI:2698

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Chemical structure information

SMILES:
CCCC#CC#CCC/C=C/C=C/C(=O)NCC(C)C

InChI:
InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-5,10-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+

InChIKey:
CAZNLADLZFVEBY-SQIWNDBBSA-N

DeepSMILES:
CCCC#CC#CCC/C=C/C=C/C=O)NCCC)C

Functional groups:
C/C=C/C=C/C(=O)NC, CC#CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty amides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.388

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Chemical structure download