NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundthiacremonone
NPACT-IdNPACT00436
IUPAC2,4-dihydroxy-2,5-dimethylthiophen-3-one
Synonyms2,4-Dihydroxy-2,5-dimethyl-3(2H)-thiophenone;2,5-Dimethyl-2,4-dihydroxy-3(2H)-thiophenone
PubChem Id539170
ClassOrganic chemical
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJYMIRUWYSKOKRU-UHFFFAOYSA-N
InChi1S/C6H8O3S/c1-3-4(7)5(8)6(2,9)10-3/h7,9H,1-2H3
SMILESS1C(O)(C(=O)C(=C1C)O)C
SMART[#6]C1=C(O)C(=O)C([#6])(O)S1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C524083
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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