MetaADEDB 2.0 @ LMMD
thymoquinone
(KEQHJBNSCLWCAE-UHFFFAOYSA-N)
Structure
SMILES
CC(C1=CC(=O)C(=CC1=O)C)C
Molecular Formula:
C10H12O2
Molecular Weight:
164.201
Log P:
1.6669
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
34.14
CAS Number(s):
490-91-5; 73940-92-8
Synonym(s)
1.
thymoquinone
2.
2-isopropyl-5-methylbenzoquinone
3.
2-methyl-5-isopropyl-p-benzoquinone
4.
dihydrothymoquinone
External Link(s)
MeSHC003466
PubChem Compound10281
BindingDB166686
ChEBI113532
CHEMBLCHEMBL1672002
ZINC164367
Adverse Drug Event(s)
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