Methyl 2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7,13-dioxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate
| Internal ID | 570e5dda-73dd-4640-a2f5-c4c4fc4dcd70 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | methyl 2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7,13-dioxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate |
| SMILES (Canonical) | CC1=C2C(CC1=O)OC3C2(C(C4(C(C3O)C(C=CC4=O)(C)C(=O)OC)C)CC(=O)OC)C |
| SMILES (Isomeric) | CC1=C2C(CC1=O)OC3C2(C(C4(C(C3O)C(C=CC4=O)(C)C(=O)OC)C)CC(=O)OC)C |
| InChI | InChI=1S/C24H30O8/c1-11-12(25)9-13-17(11)24(4)14(10-16(27)30-5)23(3)15(26)7-8-22(2,21(29)31-6)19(23)18(28)20(24)32-13/h7-8,13-14,18-20,28H,9-10H2,1-6H3 |
| InChI Key | CUSXQCWRKQKACI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O8 |
| Molecular Weight | 446.50 g/mol |
| Exact Mass | 446.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of Methyl 2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7,13-dioxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/731da100-8593-11ee-9243-1352347af24b.jpg "2D Structure of Methyl 2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7,13-dioxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-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 | 97.74% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.33% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.82% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.22% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.14% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.84% | 94.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.82% | 94.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.33% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.18% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.03% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.95% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.37% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 83.18% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.95% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.77% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.11% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.75% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.18% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.18% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.13% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.99% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.05% | 99.17% |
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.
| Azadirachta indica |
| PubChem | 73811768 |
| LOTUS | LTS0231098 |
| wikiData | Q104970481 |