Acetylacteoside
| Internal ID | 95ed4c35-a283-46af-ad3f-7fd5ea6443e7 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [(2R,3R,4R,5R,6R)-2-(acetyloxymethyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC(=O)C)OCCC4=CC(=C(C=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)COC(=O)C)OCCC4=CC(=C(C=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1 |
| InChI Key | JBGBPOYDCGQCJC-MWKLXWFVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H38O16 |
| Molecular Weight | 666.60 g/mol |
| Exact Mass | 666.21598512 g/mol |
| Topological Polar Surface Area (TPSA) | 251.00 Ų |
| XlogP | 0.10 |
| 441769-43-3 |
| CHEMBL4473793 |
| [(2R,3R,4R,5R,6R)-2-(acetyloxymethyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| 6-Acetylacteoside |
| 6-O-Acetylacteoside , HPLC Grade |
| BDBM50528376 |
| MFCD04974479 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.68% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.52% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.73% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.23% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.73% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.76% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.76% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 90.93% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.35% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.23% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.75% | 94.80% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.68% | 97.36% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.35% | 80.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.96% | 90.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.95% | 96.37% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.82% | 94.62% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Penstemon centranthifolius |
| Santisukia kerrii |
| Tecoma stans var. velutina |
| PubChem | 10462068 |
| LOTUS | LTS0122794 |
| wikiData | Q105124315 |