Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018109

Phytochemical name: 3,7-Dimethylocta-2,6-dienenitrile

Synonymous chemical names:
3,7-Dimethylocta-2,6-dienenitrile

External chemical identifiers:
CID:CID_1551246, ZINC:ZINC000001701190, FDASRS:W889CV0E9F, SureChEMBL:SCHEMBL114124, Molport-000-722-706

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Chemical structure information

SMILES:
N#C/C=C(/CCC=C(C)C)\C

InChI:
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+

InChIKey:
HLCSDJLATUNSSI-JXMROGBWSA-N

DeepSMILES:
N#C/C=C/CCC=CC)C)))))\C

Functional groups:
C/C(C)=C/C#N, 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: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 1.943

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Chemical structure download