6,20-Difluoro-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-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
| Internal ID | 30239560-d282-42ab-916f-d7d8e2c76b3e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles |
| IUPAC Name | 6,20-difluoro-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-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) | C1=CC2=C(C=C1F)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4C7C(C(C(C(O7)CO)O)O)O)C=C(C=C6)F |
| SMILES (Isomeric) | C1=CC2=C(C=C1F)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4C7C(C(C(C(O7)CO)O)O)O)C=C(C=C6)F |
| InChI | InChI=1S/C26H19F2N3O7/c27-8-1-3-10-12(5-8)29-19-15(10)17-18(25(37)30-24(17)36)16-11-4-2-9(28)6-13(11)31(20(16)19)26-23(35)22(34)21(33)14(7-32)38-26/h1-6,14,21-23,26,29,32-35H,7H2,(H,30,36,37) |
| InChI Key | NKNQTGRKBYNURK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H19F2N3O7 |
| Molecular Weight | 523.40 g/mol |
| Exact Mass | 523.11910628 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 6,20-Difluoro-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-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](https://plantaedb.com/storage/docs/compounds/2023/11/8a04dec0-8716-11ee-b3b8-353bf2bba52f.jpg "2D Structure of 6,20-Difluoro-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-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")
| 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 | 98.83% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.47% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 95.83% | 97.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.32% | 86.92% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 95.19% | 93.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.96% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.85% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.32% | 91.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.21% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.62% | 94.00% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 89.89% | 87.16% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.18% | 98.59% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.19% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.09% | 89.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.85% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.22% | 85.94% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.19% | 85.49% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.73% | 80.33% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 85.92% | 80.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.13% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.94% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.42% | 96.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.41% | 97.28% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.15% | 93.03% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.12% | 89.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.70% | 97.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.34% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.84% | 96.61% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.63% | 93.04% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.28% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.67% | 97.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.47% | 89.44% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 80.17% | 81.14% |
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 | 23442827 |
| LOTUS | LTS0100733 |
| wikiData | Q105180671 |