NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundThymol
NPACT-IdNPACT00975
IUPAC5-methyl-2-propan-2-ylphenol
Synonyms6-Isopropyl-m-cresol;3-p-Cymenol;5-Methyl-2-isopropylphenol;Thyme camphor;Thymic acid;Isopropyl cresol;2-Isopropyl-5-methylphenol;6-Isopropyl-3-methylphenol;m-Thymol
PubChem Id6989
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
InChi1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
SMILESOc1c(C(C)C)ccc(c1)C
SMART[H]OC1=C(C([H])=C([H])C(=C1[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H]
CAS No.89-83-8
Structure
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Cross Refrence in other databases
Super Natural   000089838
CTD   D013943
HIT   C0293
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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