(8S,10R,26S,28S,30S)-36-hexan-2-yl-8,10,14,18,22,26,28,30,34-nonahydroxy-4-methyl-1-oxacyclohexatriacont-3-en-2-one
| Internal ID | 406794ac-1e81-4be6-9e18-6eaf0d289309 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (8S,10R,26S,28S,30S)-36-hexan-2-yl-8,10,14,18,22,26,28,30,34-nonahydroxy-4-methyl-1-oxacyclohexatriacont-3-en-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H80O11/c1-4-5-13-31(3)41-29-39(50)24-11-23-38(49)28-40(51)27-37(48)22-10-19-34(45)17-8-15-32(43)14-7-16-33(44)18-9-21-36(47)26-35(46)20-6-12-30(2)25-42(52)53-41/h25,31-41,43-51H,4-24,26-29H2,1-3H3/t31?,32?,33?,34?,35-,36+,37-,38-,39?,40-,41?/m0/s1 |
| InChI Key | XCMPEWXFVPCAPO-FJSLAZIDSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C42H80O11 |
| Molecular Weight | 761.10 g/mol |
| Exact Mass | 760.57006336 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.80% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.43% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.52% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.42% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.23% | 93.56% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 88.09% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.48% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.45% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.83% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.45% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.23% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.15% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.99% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.48% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.04% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.99% | 90.08% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.40% | 96.43% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.12% | 98.33% |
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 | 139585655 |
| LOTUS | LTS0093749 |
| wikiData | Q77484558 |