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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THYMOQUINONE

SMILES

CC(C)C1=CC(=O)C(C)=CC1=O

InChI

InChIKey=KEQHJBNSCLWCAE-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H12O2
Molecular Weight 164.2011
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.18 µM [IC50]
30.0 nM [IC50]
4.4 µM [IC50]
0.5 µM [IC50]
1.19 µM [Kd]

PubMed

Substance Class Chemical
Record UNII
O60IE26NUF
Record Status Validated (UNII)
Record Version