2-[10,12-Dihydroxy-14-(hydroxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradec-7-enyl]propyl 2-[2-hydroxy-3,5-dimethyl-6-(3-oxohexan-2-yl)oxan-2-yl]propanoate
| Internal ID | 49ccec9a-0f30-4cde-a872-f69f17668e15 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 2-[10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradec-7-enyl]propyl 2-[2-hydroxy-3,5-dimethyl-6-(3-oxohexan-2-yl)oxan-2-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H60O8/c1-9-10-29(38)23(5)32-20(2)15-22(4)36(42,44-32)24(6)33(40)43-19-21(3)26-11-13-34(7)17-27-25(18-37)16-30(39)31(27)35(8,41)14-12-28(26)34/h12,20-27,30-32,37,39,41-42H,9-11,13-19H2,1-8H3 |
| InChI Key | ONAHYSQENLUUJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H60O8 |
| Molecular Weight | 620.90 g/mol |
| Exact Mass | 620.42881887 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 2-[10,12-Dihydroxy-14-(hydroxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradec-7-enyl]propyl 2-[2-hydroxy-3,5-dimethyl-6-(3-oxohexan-2-yl)oxan-2-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/e6403ca0-85ba-11ee-9a9b-4f84a036dbdd.jpg "2D Structure of 2-[10,12-Dihydroxy-14-(hydroxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradec-7-enyl]propyl 2-[2-hydroxy-3,5-dimethyl-6-(3-oxohexan-2-yl)oxan-2-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 | 99.50% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.51% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.07% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.52% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.13% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.25% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.18% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.28% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.79% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.69% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.09% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.96% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.84% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.73% | 93.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.55% | 96.43% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.70% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.22% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.17% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.96% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.36% | 94.45% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.35% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.18% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 162925669 |
| LOTUS | LTS0201045 |
| wikiData | Q104193531 |