NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5-hydroxybowdichione
NPACT-IdNPACT01098
IUPAC-
Synonyms2,5-Cyclohexadiene-1,4-dione, 2-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-5-methoxy-;2-(5,7-dihydroxy-4-oxochromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione;112448-38-1
PubChem Id5491730
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXTAGXYXCZYACHC-UHFFFAOYSA-N
InChi1S/C16H10O7/c1-22-13-5-10(18)8(4-11(13)19)9-6-23-14-3-7(17)2-12(20)15(14)16(9)21/h2-6,17,20H,1H3
SMILESo1c2c(c(=O)c(C3=CC(=O)C(=CC3=O)OC)c1)c(O)cc(O)c2
SMART[H]OC1=C([H])C(O[H])=C2C(=O)C(=C([H])OC2=C1[H])C1=C([H])C(=O)C(OC([H])([H])[H])=C([H])C1=O
CAS No.112448-38-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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