Summary

IMPPAT Phytochemical identifier: IMPHY017364

Phytochemical name: 1,3,6-Heptatriene, 2,5,6-trimethyl-

Synonymous chemical names:
2,5,6-trimethyl-heptα-1,3,6-triene

External chemical identifiers:
CID:5352486

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Chemical structure information

SMILES:
CC(=C)/C=C/C(C(=C)C)C

InChI:
InChI=1S/C10H16/c1-8(2)6-7-10(5)9(3)4/h6-7,10H,1,3H2,2,4-5H3/b7-6+

InChIKey:
PSZBPDGPFVFTSW-VOTSOKGWSA-N

DeepSMILES:
CC=C)/C=C/CC=C)C))C

Functional groups:
C=C(C)/C=C/C, C=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.492

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Chemical structure download