(14,24-Diacetyloxy-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.02,15.03,12.05,10.018,23.025,29]nonacosa-1,3(12),4,10,14,17(29),18(23),24,27-nonaen-11-yl) acetate
| Internal ID | 6578e149-2a62-42f1-93cc-d83ab1c62bb9 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes > Benzoxanthenes |
| IUPAC Name | (14,24-diacetyloxy-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.02,15.03,12.05,10.018,23.025,29]nonacosa-1,3(12),4,10,14,17(29),18(23),24,27-nonaen-11-yl) acetate |
| SMILES (Canonical) | CC1CC2=CC3=C(C(=C2C(=O)O1)OC(=O)C)C(=O)C(=C4C3=C5C(=CC(=O)C6=C(C7=C(CC(OC7=O)C)C(=C56)O4)OC(=O)C)OC)OC(=O)C |
| SMILES (Isomeric) | CC1CC2=CC3=C(C(=C2C(=O)O1)OC(=O)C)C(=O)C(=C4C3=C5C(=CC(=O)C6=C(C7=C(CC(OC7=O)C)C(=C56)O4)OC(=O)C)OC)OC(=O)C |
| InChI | InChI=1S/C35H26O14/c1-11-7-16-9-17-22-26-20(43-6)10-19(39)25-27(26)29(18-8-12(2)45-35(42)24(18)31(25)47-14(4)37)49-32(22)33(48-15(5)38)28(40)23(17)30(46-13(3)36)21(16)34(41)44-11/h9-12H,7-8H2,1-6H3 |
| InChI Key | JIGVQIOPJOCRIQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H26O14 |
| Molecular Weight | 670.60 g/mol |
| Exact Mass | 670.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (14,24-Diacetyloxy-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.02,15.03,12.05,10.018,23.025,29]nonacosa-1,3(12),4,10,14,17(29),18(23),24,27-nonaen-11-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/7356c320-85f8-11ee-94cf-2b42c6831162.jpg "2D Structure of (14,24-Diacetyloxy-28-methoxy-7,20-dimethyl-9,13,22,26-tetraoxo-8,16,21-trioxaheptacyclo[15.11.1.02,15.03,12.05,10.018,23.025,29]nonacosa-1,3(12),4,10,14,17(29),18(23),24,27-nonaen-11-yl) acetate")
| 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 | 98.84% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.55% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.07% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.45% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.72% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.48% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.76% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.70% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.67% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.56% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.10% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.89% | 89.50% |
| CHEMBL214 | P08908 | Serotonin 1a (5-HT1a) receptor | 84.85% | 92.83% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.19% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.41% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.52% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.67% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.15% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 162885348 |
| LOTUS | LTS0081983 |
| wikiData | Q105129029 |