16-(3,9-Dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl)-8-hydroxy-11-(hydroxymethyl)-3,15-dimethoxy-5,7,9-trimethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
| Internal ID | 6f5a88cf-2fb3-4076-b7d2-5960b0dd0f61 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 16-(3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl)-8-hydroxy-11-(hydroxymethyl)-3,15-dimethoxy-5,7,9-trimethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H56O9/c1-20(2)31(38)22(4)14-15-28(37)25(7)33(40)26(8)34-29(42-9)13-11-12-27(19-36)18-24(6)32(39)23(5)16-21(3)17-30(43-10)35(41)44-34/h11-17,20,22-26,29,31-34,36,38-40H,18-19H2,1-10H3 |
| InChI Key | FFGYDUDLLJGAOQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H56O9 |
| Molecular Weight | 620.80 g/mol |
| Exact Mass | 620.39243336 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.66% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.62% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.86% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.85% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.65% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.56% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.25% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.92% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.64% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.82% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.43% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.91% | 93.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.66% | 93.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.30% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.91% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.32% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.46% | 95.89% |
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 | 75601318 |
| LOTUS | LTS0068227 |
| wikiData | Q103818954 |