8-[(4-Hydroxyphenyl)methyl]-2,6,9,11,14-pentamethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
| Internal ID | 58b37821-ca5b-43c5-b1d4-2d287e9199e6 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 8-[(4-hydroxyphenyl)methyl]-2,6,9,11,14-pentamethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H45N5O7S/c1-9-10-23-18(4)32(43)44-20(6)30(41)36(7)25(15-21-11-13-22(38)14-12-21)31(42)37(8)26(17(2)3)28(40)33-19(5)29-35-24(16-45-29)27(39)34-23/h11-14,16-20,23,25-26,38H,9-10,15H2,1-8H3,(H,33,40)(H,34,39) |
| InChI Key | GGYQVLOCMGQKAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H45N5O7S |
| Molecular Weight | 643.80 g/mol |
| Exact Mass | 643.30396997 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 8-[(4-Hydroxyphenyl)methyl]-2,6,9,11,14-pentamethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-oala-dl-nmetyr-dl-nmeval-unk-bala2-me3-pr.jpg "2D Structure of 8-[(4-Hydroxyphenyl)methyl]-2,6,9,11,14-pentamethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone")
| 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 | 99.33% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.64% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.36% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.26% | 90.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.05% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.75% | 94.45% |
| CHEMBL1949 | P62937 | Cyclophilin A | 93.52% | 98.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.84% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.24% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.57% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.90% | 99.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.77% | 96.90% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.73% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.39% | 86.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.37% | 93.67% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.88% | 93.04% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.74% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.14% | 98.03% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.13% | 85.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.87% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.52% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73837266 |
| LOTUS | LTS0066031 |
| wikiData | Q104167157 |