| Compound | Calceolarioside A |
| NPACT-Id | NPACT00372 |
| IUPAC | [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Synonyms | - |
| PubChem Id | 5273566 |
| Class | Carbohydrates |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | UHIGZYLCYRQESL-VJWFJHQPSA-N |
| InChi | 1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20-,21-,22-,23-/m1/s1 |
| SMILES | O1[C@@H]([C@@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@H](O)[C@@H](O)[C@@H]1OCCc1cc(O)c(O)cc1)CO |
|
SMART | [H]OC1=C(O[H])C([H])=C(C([H])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])C([H])([H])C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])O[C@]2([H])C([H])([H])O[H])C([H])=C1[H] |
| CAS No. | 84744-28-5 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C083066 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, Therapeutic Targets Database, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | Yes |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |