15-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione
| Internal ID | 1a8937f3-6bfb-4eca-bf5f-d051fb22d700 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 15-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione |
| SMILES (Canonical) | CC=C1C2CC(=O)OCCC3=CC(=C(C=C3)O)OC4=CC=C(CCOC(=O)C2=COC1OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)C=C4 |
| SMILES (Isomeric) | CC=C1C2CC(=O)OCCC3=CC(=C(C=C3)O)OC4=CC=C(CCOC(=O)C2=COC1OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)C=C4 |
| InChI | InChI=1S/C38H46O18/c1-2-21-22-14-28(42)49-11-10-19-5-8-24(41)25(13-19)52-20-6-3-18(4-7-20)9-12-50-35(48)23(22)17-51-36(21)56-38-33(47)34(30(44)27(16-40)54-38)55-37-32(46)31(45)29(43)26(15-39)53-37/h2-8,13,17,22,26-27,29-34,36-41,43-47H,9-12,14-16H2,1H3 |
| InChI Key | HSKJIGQLAWRQNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H46O18 |
| Molecular Weight | 790.80 g/mol |
| Exact Mass | 790.26841461 g/mol |
| Topological Polar Surface Area (TPSA) | 270.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 15-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/57df47b0-825f-11ee-b8fb-b7d00367a2a1.jpg "2D Structure of 15-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-ethylidene-4-hydroxy-2,10,16,20-tetraoxatetracyclo[21.2.2.13,7.013,18]octacosa-1(25),3,5,7(28),17,23,26-heptaene-11,19-dione")
| 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 | 99.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.51% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.50% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.13% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.74% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.56% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.12% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.13% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.55% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.10% | 100.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.68% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.91% | 94.00% |
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.
| Fraxinus insularis |
| PubChem | 73157766 |
| LOTUS | LTS0050723 |
| wikiData | Q105033093 |