9-Methoxyrebeccamycin
| Internal ID | 3cc2e60b-00eb-4c0e-96e6-417bfe53a588 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles |
| IUPAC Name | 5,21-dichloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-7-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H23Cl2N3O8/c1-39-9-6-11-16-18-17(26(37)32-27(18)38)15-10-4-3-5-12(29)19(10)31-20(15)22(16)33(21(11)13(30)7-9)28-24(36)23(35)25(40-2)14(8-34)41-28/h3-7,14,23-25,28,31,34-36H,8H2,1-2H3,(H,32,37,38)/t14-,23-,24-,25-,28-/m1/s1 |
| InChI Key | HUCOVWGJVBBELT-BJIUMZSASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H23Cl2N3O8 |
| Molecular Weight | 600.40 g/mol |
| Exact Mass | 599.0862201 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 2.60 |
| 5,21-dichloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-7-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione |
| 5,21-dichloro-3-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl)-7-methoxy-3,13,23-triazahexacyclo(14.7.0.02,10.04,9.011,15.017,22)tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione |
| RefChem:108001 |
| CHEBI:198851 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.54% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.16% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.79% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.08% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.02% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.83% | 93.99% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.81% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.36% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.88% | 94.73% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 90.06% | 95.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.50% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.17% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.39% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.19% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.95% | 97.14% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.82% | 80.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 84.58% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.25% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.09% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.75% | 95.93% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.57% | 97.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.39% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.37% | 100.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.02% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.02% | 91.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.79% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.42% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.92% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.68% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.11% | 96.61% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 139583513 |
| LOTUS | LTS0058239 |
| wikiData | Q75063411 |