N-[3-hydroxy-6-(7-hydroxy-12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-3-yl)-2-methyloxan-4-yl]acetamide
| Internal ID | 25d7ab79-c116-409f-a64b-ba709cf7a8f3 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles |
| IUPAC Name | N-[3-hydroxy-6-(7-hydroxy-12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-3-yl)-2-methyloxan-4-yl]acetamide |
| SMILES (Canonical) | CC1C(C(CC(O1)N2C3=C(C=C(C=C3)O)C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)NC(=O)C)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)N2C3=C(C=C(C=C3)O)C4=C5C(=C6C7=CC=CC=C7NC6=C42)CNC5=O)NC(=O)C)O |
| InChI | InChI=1S/C28H26N4O5/c1-12-27(35)19(30-13(2)33)10-21(37-12)32-20-8-7-14(34)9-16(20)23-24-17(11-29-28(24)36)22-15-5-3-4-6-18(15)31-25(22)26(23)32/h3-9,12,19,21,27,31,34-35H,10-11H2,1-2H3,(H,29,36)(H,30,33) |
| InChI Key | YOELNZYRZIJSGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H26N4O5 |
| Molecular Weight | 498.50 g/mol |
| Exact Mass | 498.19031994 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of N-[3-hydroxy-6-(7-hydroxy-12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-3-yl)-2-methyloxan-4-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/1d7f1630-84f4-11ee-aab5-593ec7f4bc8c.jpg "2D Structure of N-[3-hydroxy-6-(7-hydroxy-12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-3-yl)-2-methyloxan-4-yl]acetamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL299 | P17252 | Protein kinase C alpha |
460 nM |
IC50 |
via Super-PRED
|
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 |
40 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.64% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.17% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.75% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.65% | 85.14% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 98.61% | 81.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.05% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.61% | 94.45% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 95.23% | 87.16% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.85% | 83.10% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.74% | 95.64% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.60% | 91.79% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 94.54% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.49% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.96% | 98.59% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 93.54% | 97.03% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 93.39% | 96.39% |
| CHEMBL4924 | Q9UK32 | Ribosomal protein S6 kinase alpha 6 | 93.38% | 80.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 92.07% | 80.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.50% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.38% | 93.10% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.72% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.92% | 92.67% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.47% | 89.44% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 88.12% | 88.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.08% | 93.99% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.33% | 80.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.87% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.80% | 91.38% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 86.30% | 83.65% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.62% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.54% | 90.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.12% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.74% | 91.49% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.71% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.13% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.04% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.03% | 86.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.95% | 97.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.64% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.92% | 97.09% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.81% | 95.52% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.72% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.63% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 162820280 |
| LOTUS | LTS0183749 |
| wikiData | Q104201903 |