6-Hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione
| Internal ID | cd5e0753-b056-4b9f-98a1-b0479ccde3f5 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione |
| SMILES (Canonical) | CC12CCCC3(C1CCC45C3(CCC(C4)C(C5=O)(CO)O)C)OC2=O |
| SMILES (Isomeric) | CC12CCCC3(C1CCC45C3(CCC(C4)C(C5=O)(CO)O)C)OC2=O |
| InChI | InChI=1S/C20H28O5/c1-16-6-3-7-20(25-15(16)23)13(16)5-9-18-10-12(4-8-17(18,20)2)19(24,11-21)14(18)22/h12-13,21,24H,3-11H2,1-2H3 |
| InChI Key | ROHGZJRPRRSYLD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O5 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 6-Hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d53ccc70-8590-11ee-9de4-fd63ae320328.jpg "2D Structure of 6-Hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione")
| 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 | 93.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.47% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.23% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.13% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.59% | 96.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.82% | 95.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.06% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.35% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.05% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.01% | 96.43% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.98% | 94.80% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.88% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.82% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.12% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.97% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.34% | 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.
| Parinari sprucei |
| PubChem | 163072789 |
| LOTUS | LTS0074498 |
| wikiData | Q105242222 |