5,6,23-Trihydroxy-4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-18-one
| Internal ID | d2f1e3da-b9d5-4177-9960-4f46fd60145a |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles |
| IUPAC Name | 5,6,23-trihydroxy-4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-18-one |
| SMILES (Canonical) | CC1C(C2(CC(O1)N3C4=C(C=C(C=C4)O)C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)O)O |
| SMILES (Isomeric) | CC1C(C2(CC(O1)N3C4=C(C=C(C=C4)O)C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)O)O |
| InChI | InChI=1S/C26H21N3O5/c1-11-24(31)26(33)9-18(34-11)28-16-7-6-12(30)8-14(16)20-21-15(10-27-25(21)32)19-13-4-2-3-5-17(13)29(26)23(19)22(20)28/h2-8,11,18,24,30-31,33H,9-10H2,1H3,(H,27,32) |
| InChI Key | NEPZGORZKOUWMU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H21N3O5 |
| Molecular Weight | 455.50 g/mol |
| Exact Mass | 455.14812078 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 5,6,23-Trihydroxy-4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-18-one](https://plantaedb.com/storage/docs/compounds/2023/11/b8a71400-8753-11ee-afff-532c496597fc.jpg "2D Structure of 5,6,23-Trihydroxy-4-methyl-3-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-18-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 |
970 nM 340 nM |
IC50 IC50 |
via Super-PRED
via Super-PRED |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.34% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.06% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.48% | 89.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 97.74% | 80.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.40% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 96.05% | 83.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.30% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 95.19% | 85.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.17% | 91.79% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 94.79% | 91.83% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 94.70% | 81.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.94% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 93.75% | 80.00% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 93.17% | 87.16% |
| CHEMBL4924 | Q9UK32 | Ribosomal protein S6 kinase alpha 6 | 93.09% | 80.00% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 92.51% | 83.65% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.47% | 95.64% |
| CHEMBL4599 | Q07912 | Tyrosine kinase non-receptor protein 2 | 92.27% | 94.29% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.79% | 99.23% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 88.61% | 88.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.14% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.41% | 93.99% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.96% | 92.67% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.27% | 91.07% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.12% | 91.38% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.83% | 98.03% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.84% | 89.23% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 84.09% | 96.00% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.90% | 97.03% |
| CHEMBL2801 | Q13557 | CaM kinase II delta | 83.84% | 84.49% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.61% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.19% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.66% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.52% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.52% | 99.15% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.29% | 89.32% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.83% | 93.03% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.81% | 96.39% |
| CHEMBL4598 | Q13043 | Serine/threonine-protein kinase MST1 | 80.57% | 96.64% |
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 | 163056487 |
| LOTUS | LTS0213455 |
| wikiData | Q104172410 |