NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-hydroxy-2-hydroxymethylanthraquinone
NPACT-IdNPACT01063
IUPAC-
SynonymsDeoxylucidin;1-Hydroxy-2-hydroxymethylanthraquinone;ANTHRAQUINONE, 1-HYDROXY-2-HYDROXYMETHYL-;1-Hydroxy-2-(hydroxymethyl)-9,10-anthracenedione;9,10-Anthracenedione, 1-hydroxy-2-(hydroxymethyl)-;Digiferrugineol;1-hydroxy-2-(hydroxymethyl)anthracene-9,10-dione;
PubChem Id32209
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJCZCSQSSSAHDCB-UHFFFAOYSA-N
InChi1S/C15H10O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2
SMILESOc1c2c(C(=O)c3c(C2=O)cccc3)ccc1CO
SMART[H]OC1=C(C([H])=C([H])C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1C2=O)C([H])([H])O[H]
CAS No.24094-45-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C048303
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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