16-[4-(6-Ethyl-2,4-dihydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
| Internal ID | b03769f4-cdd9-48ac-9541-10add47d27f0 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 16-[4-(6-ethyl-2,4-dihydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H56O9/c1-11-27-23(6)26(35)18-34(39,43-27)25(8)31(37)24(7)32-28(40-9)14-12-13-19(2)15-21(4)30(36)22(5)16-20(3)17-29(41-10)33(38)42-32/h12-14,16-17,21-28,30-32,35-37,39H,11,15,18H2,1-10H3 |
| InChI Key | DYPQZGJEEBDGCP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H56O9 |
| Molecular Weight | 608.80 g/mol |
| Exact Mass | 608.39243336 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 16-[4-(6-Ethyl-2,4-dihydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/e30279c0-8585-11ee-8f4e-95c5756a472d.jpg "2D Structure of 16-[4-(6-Ethyl-2,4-dihydroxy-5-methyloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.67% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.13% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.92% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.12% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.84% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.08% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.50% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.51% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.89% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.75% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.26% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.01% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.60% | 93.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.60% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.20% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.42% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.83% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.82% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.58% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.36% | 94.45% |
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 | 75287416 |
| LOTUS | LTS0086098 |
| wikiData | Q103818800 |