Methyl 11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate
| Internal ID | 90b93001-41c3-415c-a295-afd55465c957 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | methyl 11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2=O)CC5=CC6=C(C(=O)CC(O6)(C7CCC(=O)O7)C(=O)OC)C(=C45)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2=O)CC5=CC6=C(C(=O)CC(O6)(C7CCC(=O)O7)C(=O)OC)C(=C45)O)O |
| InChI | InChI=1S/C31H24O11/c1-12-7-15-22(16(32)8-12)27(37)24-25(35)14-5-6-30(24,28(15)38)10-13-9-18-23(26(36)21(13)14)17(33)11-31(42-18,29(39)40-2)19-3-4-20(34)41-19/h5-9,14,19,32,36-37H,3-4,10-11H2,1-2H3 |
| InChI Key | JUSHCXMJWBJGNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H24O11 |
| Molecular Weight | 572.50 g/mol |
| Exact Mass | 572.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of Methyl 11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6ad46330-853e-11ee-bd45-b95629fa26dc.jpg "2D Structure of Methyl 11,16,18-trihydroxy-20-methyl-9,14,23-trioxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate")
| 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 | 99.36% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.78% | 96.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.57% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.86% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.71% | 99.23% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 93.48% | 96.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.29% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.23% | 91.79% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.78% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.77% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.22% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.87% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.72% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.92% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.79% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.61% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.83% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.85% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.50% | 94.45% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.45% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.36% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.98% | 93.03% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.02% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.41% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.05% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.62% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.45% | 82.38% |
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 | 21676966 |
| LOTUS | LTS0043941 |
| wikiData | Q104169880 |