Summary

IMPPAT Phytochemical identifier: IMPHY006309

Phytochemical name: p-Menthane

Synonymous chemical names:
p-menthane

External chemical identifiers:
CID:7459, ChEBI:25826, ZINC:ZINC000001699441, FDASRS:CGW5GN8TXU, SureChEMBL:SCHEMBL7979, MolPort-002-501-921

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Chemical structure information

SMILES:
CC1CCC(CC1)C(C)C

InChI:
InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3

InChIKey:
CFJYNSNXFXLKNS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6))CC)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 0.47

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Chemical structure download