9-hydroxy-5-(1H-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,15,18-tetraene-3,17-dione
| Internal ID | 938509e3-bcd3-4239-bd62-0b16913b14dc |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 9-hydroxy-5-(1H-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,15,18-tetraene-3,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H35N3O3/c1-17-8-7-10-23-30(37)20(4)19(3)28-26(15-21-16-33-24-11-6-5-9-22(21)24)35-31(38)32(23,28)27-13-12-25(34-27)29(36)18(2)14-17/h5-7,9-14,16-17,19,23,26,28,30,33-34,37H,4,8,15H2,1-3H3,(H,35,38) |
| InChI Key | CYRVQOQBMLPFPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H35N3O3 |
| Molecular Weight | 509.60 g/mol |
| Exact Mass | 509.26784199 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 9-hydroxy-5-(1H-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,15,18-tetraene-3,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bfd95ce0-84c8-11ee-aa43-b9ba1ff70930.jpg "2D Structure of 9-hydroxy-5-(1H-indol-3-ylmethyl)-7,14,16-trimethyl-8-methylidene-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),11,15,18-tetraene-3,17-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 99.22% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.31% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.27% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.72% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.53% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.28% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.16% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.73% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.29% | 90.08% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.19% | 96.39% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.90% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.56% | 92.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.21% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.82% | 96.90% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.20% | 95.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.14% | 100.00% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 82.55% | 95.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.36% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.30% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.12% | 97.64% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.54% | 90.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.40% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.33% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.08% | 94.80% |
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 | 73836031 |
| LOTUS | LTS0067720 |
| wikiData | Q105103431 |