(3S,6R,9S,12S,14E,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-(hydroxymethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
| Internal ID | 281ea070-8f6a-493d-855f-fe2bf2c13938 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6R,9S,12S,14E,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-(hydroxymethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H40IN3O7/c1-15-9-16(2)11-18(4)39-28(38)22(14-33)31-26(36)23(13-20-7-8-24(34)21(29)12-20)32(6)27(37)19(5)30-25(35)17(3)10-15/h7-9,12,16-19,22-23,33-34H,10-11,13-14H2,1-6H3,(H,30,35)(H,31,36)/b15-9+/t16-,17-,18-,19-,22-,23+/m0/s1 |
| InChI Key | RMPHGSCRNBJMOJ-NRVAOJETSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H40IN3O7 |
| Molecular Weight | 657.50 g/mol |
| Exact Mass | 657.19110 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (3S,6R,9S,12S,14E,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-(hydroxymethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/38783860-85bd-11ee-aa83-fdf6f19b38a1.jpg "2D Structure of (3S,6R,9S,12S,14E,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-(hydroxymethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.79% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.46% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.71% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.32% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.81% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.99% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.50% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.79% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.76% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.21% | 86.92% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.11% | 90.08% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.09% | 93.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.76% | 90.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.46% | 98.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.29% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.00% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.21% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.45% | 90.24% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.37% | 93.65% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.04% | 96.90% |
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 | 10842037 |
| LOTUS | LTS0083303 |
| wikiData | Q105240966 |