(3E,5E,7E,9E,11E,17E)-15-butan-2-yl-19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11,17-hexaen-13-one
| Internal ID | 51612eed-77ab-4520-8b1b-9e7849dc2e4d |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (3E,5E,7E,9E,11E,17E)-15-butan-2-yl-19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11,17-hexaen-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H66O12/c1-5-27(2)39-28(3)16-17-30(42)18-31(43)19-32(44)20-33(45)21-34(46)22-35(47)23-36(48)25-41(51)26-37(49)24-38(53-41)15-13-11-9-7-6-8-10-12-14-29(4)40(50)52-39/h6-14,16-17,27-28,30-39,42-49,51H,5,15,18-26H2,1-4H3/b8-6+,9-7+,12-10+,13-11+,17-16+,29-14+ |
| InChI Key | BLRXJQQJGXYZNW-DCJVJFIKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H66O12 |
| Molecular Weight | 751.00 g/mol |
| Exact Mass | 750.45542754 g/mol |
| Topological Polar Surface Area (TPSA) | 218.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (3E,5E,7E,9E,11E,17E)-15-butan-2-yl-19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11,17-hexaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/10371ae0-877f-11ee-ad85-d5aa75cc3476.jpg "2D Structure of (3E,5E,7E,9E,11E,17E)-15-butan-2-yl-19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11,17-hexaen-13-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 | 97.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.91% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.53% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.23% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.94% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.16% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.16% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.75% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.28% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.99% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.76% | 93.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.55% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.15% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.90% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.49% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.68% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.17% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 102236936 |
| LOTUS | LTS0097429 |
| wikiData | Q104938131 |