Summary

IMPPAT Phytochemical identifier: IMPHY017506

Phytochemical name: 3,5-Heptadienal, 2-ethylidene-6-methyl-

Synonymous chemical names:
2-­ethylidene-­6-­methyl-­3,5-­heptadienal

External chemical identifiers:
CID:572127

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Chemical structure information

SMILES:
CC=C(C=CC=C(C)C)C=O

InChI:
InChI=1S/C10H14O/c1-4-10(8-11)7-5-6-9(2)3/h4-8H,1-3H3

InChIKey:
GNLLTRIMWRZWBF-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CC=CC)C)))))C=O

Functional groups:
CC=C(C=O)C=CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.327

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Chemical structure download