NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundxanthopurpurin
NPACT-IdNPACT01383
IUPAC-
SynonymsPurpuro;1,3-Dihydroxyanthraquinone;Purpuroxathin;Xanthopurpin;1,3-Dihydroxy-9,10-anthracenedione;Anthraquinone, 1,3-dihydroxy-;1,3-dihydroxyanthracene-9,10-dione;9,10-Anthracenedione, 1,3-dihydroxy-;1,3-dihydroxy-9,10-anthraquinone;9,10-Anthracenedione, 1,3-dihydroxy- (9CI);
PubChem Id196978
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWPWWKBNOXTZDQJ-UHFFFAOYSA-N
InChi1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
SMILESOc1c2c(C(=O)c3c(C2=O)cccc3)cc(O)c1
SMART[H]OC1=C([H])C2=C(C(O[H])=C1[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1C2=O
CAS No.518-83-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, ChemFrog, ZINC, 
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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