| Compound | Aloe-emodin |
| NPACT-Id | NPACT00231 |
| IUPAC | (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
| Synonyms | - |
| PubChem Id | 10207 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | MAPK1 | MMP2 | MMP9 | NFKB1 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| InChi | 1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 |
| SMILES | Oc1c2c(C(=O)c3c(C2=O)c(O)ccc3)cc(c1)CO |
|
SMART | [H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(C([H])=C(C([H])=C1O[H])C([H])([H])O[H])C2=O |
| CAS No. | 481-72-1 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000481721 |
| CTD | - |
| HIT | C0324 |
| NCI-60 GI50 data | 481-72-1 |
| Suppliers | AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, ChemMol, Hangzhou APIChem Technology, Hangzhou Trylead Chemical
Technology, IS Chemical Technology, Kingston Chemistry, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, Therapeutic Targets Database, Vitas-M
Laboratory, |
| 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 |