| Compound | Demethylcalabaxanthone |
| NPACT-Id | NPACT00490 |
| IUPAC | 5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| Synonyms | 2H,6H-pyrano[3,2-b]xanthen-6-one, 5,8-dihydroxy-2,2-dimethyl-7-(3-methyl-2-butenyl)-;5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one |
| PubChem Id | 509270 |
| Class | Simple 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 | SDKLJUCURHMDBQ-UHFFFAOYSA-N |
| InChi | 1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3 |
| SMILES | O1C(C=Cc2c1cc1oc3c(c(=O)c1c2O)c(CC=C(C)C)c(O)cc3)(C)C |
|
SMART | [H]OC1=C(C2=C(OC3=C([H])C4=C(C([H])=C([H])[C@](O4)(C([H])([H])[H])C([H])([H])[H])C(O[H])=C3C2=O)C([H])=C1[H])C([H])([H])C([H])=C(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, |
| 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 |