Compound | 1-hydroxy-2-hydroxymethylanthraquinone |
NPACT-Id | NPACT01063 |
IUPAC | - |
Synonyms | Deoxylucidin;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 Id | 32209 |
Class | Polycyclic aromatic natural products |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | JCZCSQSSSAHDCB-UHFFFAOYSA-N |
InChi | 1S/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 |
SMILES | Oc1c2c(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 |
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Structure Download |
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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 Search | Human metabolite database | FDA approved drugs |