5,8,12,16-Tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.02,13.04,9]hexadeca-4(9),5,7-trien-3-one
| Internal ID | b677fa33-b879-4a87-88cd-198c3b9943a1 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 5,8,12,16-tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.02,13.04,9]hexadeca-4(9),5,7-trien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H20O7/c1-17-9(19)4-3-6-12(17)14(21)10-7(18)5-8(23-2)13(20)11(10)15(17)24-16(6)22/h5-6,9,12,15-16,18-20,22H,3-4H2,1-2H3 |
| InChI Key | CWJBPZHDTQOUMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O7 |
| Molecular Weight | 336.30 g/mol |
| Exact Mass | 336.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 5,8,12,16-Tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.02,13.04,9]hexadeca-4(9),5,7-trien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/c04518b0-8623-11ee-a7c9-7530e1fbc96f.jpg "2D Structure of 5,8,12,16-Tetrahydroxy-7-methoxy-1-methyl-11-oxatetracyclo[8.6.0.02,13.04,9]hexadeca-4(9),5,7-trien-3-one")
| 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 | 99.61% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.29% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.17% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.66% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.07% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.79% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.45% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.42% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.62% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.67% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.15% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.09% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.92% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.93% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.92% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.45% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.14% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.36% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.35% | 90.71% |
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.
| Cordia oncocalyx |
| PubChem | 162903564 |
| LOTUS | LTS0079391 |
| wikiData | Q104971311 |