| Compound | Garcinone D |
| NPACT-Id | NPACT00600 |
| IUPAC | 1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| Synonyms | - |
| PubChem Id | 5495926 |
| Class | Simple aromatic natural products |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CYP19A1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | TYALNCRUIKOKGP-UHFFFAOYSA-N |
| InChi | 1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3 |
| SMILES | OC(CCc1c2c(oc3c(c2=O)c(O)c(c(O)c3)CC=C(C)C)cc(O)c1OC)(C)C |
|
SMART | [H]OC1=C([H])C2=C(C(=O)C3=C(O2)C([H])=C(O[H])C(=C3O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=C1OC([H])([H])[H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Therapeutic Targets Database, |
| 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 |