Summary

IMPPAT Phytochemical identifier: IMPHY016866

Phytochemical name: Thymol-TMS

Synonymous chemical names:
thymol-tms

External chemical identifiers:
CID:521562

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Chemical structure information

SMILES:
Cc1ccc(c(c1)O[Si](C)(C)C)C(C)C

InChI:
InChI=1S/C13H22OSi/c1-10(2)12-8-7-11(3)9-13(12)14-15(4,5)6/h7-10H,1-6H3

InChIKey:
UTGMDFONUNJYQP-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)O[Si]C)C)C))))CC)C

Functional groups:
cO[Si](C)(C)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: -0.373

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Chemical structure download