Methyl 2-(14-hydroxy-1,12-dimethyl-4,11-dioxo-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-dien-6-yl)propanoate
| Internal ID | a85a3963-3405-476f-9766-11e1e73150d3 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | methyl 2-(14-hydroxy-1,12-dimethyl-4,11-dioxo-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-dien-6-yl)propanoate |
| SMILES (Canonical) | CC(C1C2=CC3C4C(C2=CC(=O)O1)(CC(CC4(C(=O)O3)C)O)C)C(=O)OC |
| SMILES (Isomeric) | CC(C1C2=CC3C4C(C2=CC(=O)O1)(CC(CC4(C(=O)O3)C)O)C)C(=O)OC |
| InChI | InChI=1S/C20H24O7/c1-9(17(23)25-4)15-11-5-13-16-19(2,12(11)6-14(22)27-15)7-10(21)8-20(16,3)18(24)26-13/h5-6,9-10,13,15-16,21H,7-8H2,1-4H3 |
| InChI Key | WNYLTPUKRPEPNX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(14-hydroxy-1,12-dimethyl-4,11-dioxo-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-dien-6-yl)propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a85ed2b0-86bf-11ee-9ba3-cf1877285ed9.jpg "2D Structure of Methyl 2-(14-hydroxy-1,12-dimethyl-4,11-dioxo-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-dien-6-yl)propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.12% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.98% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.40% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.72% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.27% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.36% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.02% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.43% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.24% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.06% | 91.07% |
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.
| Nageia nagi |
| PubChem | 162904599 |
| LOTUS | LTS0144670 |
| wikiData | Q104203138 |