2-[7,9,14-Trihydroxy-11-methyl-4-[6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]acetic acid
| Internal ID | 896c5233-215f-4b7d-9140-b479300152b2 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 2-[7,9,14-trihydroxy-11-methyl-4-[6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H29NO9/c1-9-12(24-3)5-7-14(31-9)11-4-6-13(25)18-17(11)20(29)23-19(28)15(8-16(26)27)32-10(2)22(23,33-23)21(18)30/h4,6,9-10,12,14-15,19,21,24-25,28,30H,5,7-8H2,1-3H3,(H,26,27) |
| InChI Key | WUEVZLPTHXVTBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H29NO9 |
| Molecular Weight | 463.50 g/mol |
| Exact Mass | 463.18423150 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -3.40 |
| There are no found synonyms. |
![2D Structure of 2-[7,9,14-Trihydroxy-11-methyl-4-[6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5a5c4790-83d4-11ee-b616-6d92ceb12696.jpg "2D Structure of 2-[7,9,14-Trihydroxy-11-methyl-4-[6-methyl-5-(methylamino)oxan-2-yl]-2-oxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.57% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.90% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.16% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.95% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.20% | 90.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.00% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.56% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.02% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.85% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.69% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.25% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.24% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.09% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.99% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.49% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.32% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.61% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.23% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.11% | 97.50% |
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 | 162815941 |
| LOTUS | LTS0071074 |
| wikiData | Q104200642 |