Methyl 8,13,15,20,22,27-hexahydroxy-24-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate
| Internal ID | 495387dd-8330-4033-8bf1-019a04638699 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | methyl 8,13,15,20,22,27-hexahydroxy-24-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2O)CC5=CC6=C(C(=C45)O)C(=C7C(=O)CCC(C7(O6)C(=O)OC)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2O)CC5=CC6=C(C(=C45)O)C(=C7C(=O)CCC(C7(O6)C(=O)OC)O)O)O |
| InChI | InChI=1S/C31H26O11/c1-11-7-14-20(16(33)8-11)26(37)23-24(35)13-5-6-30(23,28(14)39)10-12-9-17-21(25(36)19(12)13)27(38)22-15(32)3-4-18(34)31(22,42-17)29(40)41-2/h5-9,13,18,28,33-34,36-39H,3-4,10H2,1-2H3 |
| InChI Key | VLSQSRKFBJKCDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H26O11 |
| Molecular Weight | 574.50 g/mol |
| Exact Mass | 574.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of Methyl 8,13,15,20,22,27-hexahydroxy-24-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/e655b2d0-86b1-11ee-ab17-f9a4e67931b2.jpg "2D Structure of Methyl 8,13,15,20,22,27-hexahydroxy-24-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-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 | 99.72% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.00% | 96.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.77% | 83.82% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 96.34% | 98.44% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.60% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.22% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.80% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.41% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.65% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.12% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.04% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.33% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.24% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.70% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.31% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.25% | 95.56% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.62% | 96.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.52% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.56% | 93.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.55% | 89.63% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 84.36% | 95.52% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.12% | 91.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.49% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.38% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.12% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.46% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.03% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 78144716 |
| LOTUS | LTS0205119 |
| wikiData | Q104199575 |