Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000208

Phytochemical name: p-Cymene

Synonymous chemical names:
m,o or p-cymene, p-cymeme, Cymene, *p-cymene, p -cymene, para-cymene, p-Cymene, cymene, p-CYMENE, p-cymene, p-cimene, p- cymene, Cymene,p-, p-cymol, p‐cymene, p-cymcne, 1-methoxy-4-isopropyl-benzene, cymene, p-, p-cyrnene, Cymene, p-, Cymol,p-, p-cymene†, cymol, para-Cymene

External chemical identifiers:
CID:CID_7463, ChEMBL:CHEMBL442915, ChEBI:CHEBI:28768, ZINC:ZINC000000968246, FDASRS:1G1C8T1N7Q, SureChEMBL:SCHEMBL1143, MolPort-003-929-568

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Chemical structure information

SMILES:
Cc1ccc(cc1)C(C)C

InChI:
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

InChIKey:
HFPZCAJZSCWRBC-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

NP-Likeness score: -0.717

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Chemical structure download