(3S)-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,6,13-triol
| Internal ID | 9e3f3ba5-b4ce-48bb-84cc-b677d35c0094 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (3S)-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,6,13-triol |
| SMILES (Canonical) | COC1=C(C=C2CCC3=C4C2=C1C(OC4=CC(=C3)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C2CCC3=C4C2=C1[C@H](OC4=CC(=C3)O)O)O |
| InChI | InChI=1S/C16H14O5/c1-20-15-10(18)5-8-3-2-7-4-9(17)6-11-12(7)13(8)14(15)16(19)21-11/h4-6,16-19H,2-3H2,1H3/t16-/m0/s1 |
| InChI Key | LOPFBBAQOAHEBR-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (3S)-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,6,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/a862d690-85ab-11ee-945d-bb97468c5db6.jpg "2D Structure of (3S)-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,6,13-triol")
| 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 | 99.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.18% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.93% | 91.79% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.81% | 82.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.89% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.18% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.99% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.46% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.38% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.03% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.52% | 92.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.93% | 95.78% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.54% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.48% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.25% | 92.68% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.20% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.02% | 96.95% |
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.
| Agrostophyllum callosum |
| PubChem | 100961314 |
| LOTUS | LTS0158470 |
| wikiData | Q105154848 |