(6,14-Diacetyloxy-4,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl) acetate
| Internal ID | 13511582-b598-4fc6-842f-c57c2ad3035d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Eunicellane and asbestinane diterpenoids |
| IUPAC Name | (6,14-diacetyloxy-4,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl) acetate |
| SMILES (Canonical) | CC(C)C1C(CC(C2C1C3C(CCC(C(CC2O3)(C)O)OC(=O)C)(C)OC(=O)C)(C)OC(=O)C)O |
| SMILES (Isomeric) | CC(C)C1C(CC(C2C1C3C(CCC(C(CC2O3)(C)O)OC(=O)C)(C)OC(=O)C)(C)OC(=O)C)O |
| InChI | InChI=1S/C26H42O9/c1-13(2)20-17(30)11-26(8,35-16(5)29)22-18-12-24(6,31)19(32-14(3)27)9-10-25(7,34-15(4)28)23(33-18)21(20)22/h13,17-23,30-31H,9-12H2,1-8H3 |
| InChI Key | CMFFEVGUTXFGMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O9 |
| Molecular Weight | 498.60 g/mol |
| Exact Mass | 498.28288291 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (6,14-Diacetyloxy-4,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0b162b60-85a3-11ee-8db5-4be93aea0331.jpg "2D Structure of (6,14-Diacetyloxy-4,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl) acetate")
| 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 | 98.53% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.25% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.56% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 93.51% | 96.01% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.69% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.02% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.77% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.19% | 91.11% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.34% | 82.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.05% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.92% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.65% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.37% | 96.77% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.97% | 95.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.67% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.19% | 89.05% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.82% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.43% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.26% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.57% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.62% | 92.62% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.51% | 97.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.12% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.32% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.22% | 92.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 56670928 |
| LOTUS | LTS0093021 |
| wikiData | Q104964409 |