| Compound | harunganin |
| NPACT-Id | NPACT01219 |
| IUPAC | - |
| Synonyms | 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one;4,5,10-trihydroxy-7-methyl-1,1,8-tris(3-methylbut-2-en-1-yl)anthracen-2(1h)-one;4,5,10-trihydroxy-7-methyl-1,1,8-tris(3-methylbut-2-enyl)anthracen-2-one |
| PubChem Id | 77325 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | SWTXVTYSWPYCIX-UHFFFAOYSA-N |
| InChi | 1S/C30H36O4/c1-17(2)8-9-21-20(7)14-24(31)27-22(21)15-23-28(29(27)34)25(32)16-26(33)30(23,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,31-32,34H,9,12-13H2,1-7H3 |
| SMILES | O=C1C(c2c(c(O)c3c(c2)c(c(cc3O)C)CC=C(C)C)C(=C1)O)(CC=C(C)C)CC=C(C)C |
|
SMART | [H]OC1=C([H])C(=O)[C@](C2=C([H])C3=C(C(=C([H])C(O[H])=C3C(O[H])=C12)C([H])([H])[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 3736-60-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, ChemFrog, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |