10,15,17,19,21,23,25,26,27-Nonahydroxy-14-(1-hydroxyhexyl)-11,28-dimethyl-12,29-dioxabicyclo[26.1.0]nonacosa-2,4,6,8-tetraen-13-one
| Internal ID | b71661bd-9c03-4caa-9607-6d900a5447cd |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 10,15,17,19,21,23,25,26,27-nonahydroxy-14-(1-hydroxyhexyl)-11,28-dimethyl-12,29-dioxabicyclo[26.1.0]nonacosa-2,4,6,8-tetraen-13-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H58O13/c1-4-5-10-14-27(41)31-28(42)19-24(38)17-22(36)16-23(37)18-25(39)20-29(43)32(44)33(45)35(3)30(48-35)15-12-9-7-6-8-11-13-26(40)21(2)47-34(31)46/h6-9,11-13,15,21-33,36-45H,4-5,10,14,16-20H2,1-3H3 |
| InChI Key | XHUXEMPYNUEZRB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H58O13 |
| Molecular Weight | 686.80 g/mol |
| Exact Mass | 686.38774190 g/mol |
| Topological Polar Surface Area (TPSA) | 241.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 10,15,17,19,21,23,25,26,27-Nonahydroxy-14-(1-hydroxyhexyl)-11,28-dimethyl-12,29-dioxabicyclo[26.1.0]nonacosa-2,4,6,8-tetraen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/f1aeac60-86e6-11ee-a494-69ac6b4c44aa.jpg "2D Structure of 10,15,17,19,21,23,25,26,27-Nonahydroxy-14-(1-hydroxyhexyl)-11,28-dimethyl-12,29-dioxabicyclo[26.1.0]nonacosa-2,4,6,8-tetraen-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.54% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.39% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.32% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.08% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.69% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.41% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.84% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.57% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.98% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.74% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.35% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.15% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.70% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.79% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.99% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.77% | 91.81% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.27% | 92.88% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.93% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.38% | 99.17% |
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 | 162818460 |
| LOTUS | LTS0185066 |
| wikiData | Q104200999 |