Summary

IMPPAT Phytochemical identifier: IMPHY016331

Phytochemical name: 2,6-Dimethoxycymene

Synonymous chemical names:
2,6-dimethoxy-p-cymene, 2,6-dimethoxyl-p-cymene

External chemical identifiers:
CID:6428964, SureChEMBL:SCHEMBL11436435

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Chemical structure information

SMILES:
COc1cc(cc(c1C)OC)C(C)C

InChI:
InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3

InChIKey:
RWENJYLCELUBAE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C))OC))))CC)C

Functional groups:
cOC

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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: 0.057

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Chemical structure download