Summary

IMPPAT Phytochemical identifier: IMPHY007606

Phytochemical name: Thymohydroquinone

Synonymous chemical names:
thymohydoro quinone, thymohydro quinone, thymohydroquinone, thymohydroquinone (a), thymoquinol

External chemical identifiers:
CID:95779, ChEMBL:CHEMBL4204349, ZINC:ZINC000100292063, FDASRS:1C2ICM1R8V, SureChEMBL:SCHEMBL69082, MolPort-002-045-689

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Chemical structure information

SMILES:
CC(c1cc(O)c(cc1O)C)C

InChI:
InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3

InChIKey:
OQIOHYHRGZNZCW-UHFFFAOYSA-N

DeepSMILES:
CCcccO)ccc6O)))C)))))C

Functional groups:
cO

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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: 1.012

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Chemical structure download