Summary

IMPPAT Phytochemical identifier: IMPHY016725

Phytochemical name: m-Mentha-1(7),8-diene

Synonymous chemical names:
m-mentha-1(7),8-diene

External chemical identifiers:
CID:527272

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Chemical structure information

SMILES:
C=C1CCCC(C1)C(=C)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h10H,1,3-7H2,2H3

InChIKey:
IRKOFIFCPOQHKY-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6)C=C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Monocyclic monoterpenoids

NP-Likeness score: 2.239

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Chemical structure download