6'-Hydroxy-14'-methoxy-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-13-ene]-2,9-dione
| Internal ID | 5d0ba7d7-51ef-4068-80f3-a71ab1ee211b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 6'-hydroxy-14'-methoxy-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-13-ene]-2,9-dione |
| SMILES (Canonical) | CC1(CC(=O)C2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCC(C7(CC5C4(C)C)C(=N6)OC)(C)O)C |
| SMILES (Isomeric) | CC1(CC(=O)C2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCC(C7(CC5C4(C)C)C(=N6)OC)(C)O)C |
| InChI | InChI=1S/C28H35N3O5/c1-23(2)11-16(32)19-17(36-23)8-7-15-20(19)29-21(33)27(15)13-26-14-31-10-9-25(5,34)28(31,22(30-26)35-6)12-18(26)24(27,3)4/h7-8,18,34H,9-14H2,1-6H3,(H,29,33) |
| InChI Key | APFAPJLFMNNAGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H35N3O5 |
| Molecular Weight | 493.60 g/mol |
| Exact Mass | 493.25767123 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 6'-Hydroxy-14'-methoxy-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-13-ene]-2,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/990a8390-86f7-11ee-a3c7-99921b2c037b.jpg "2D Structure of 6'-Hydroxy-14'-methoxy-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-13-ene]-2,9-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 | 98.85% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.82% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.25% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.95% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.79% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.49% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.68% | 96.77% |
| CHEMBL240 | Q12809 | HERG | 89.92% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.68% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.53% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.19% | 97.28% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.94% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.45% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.65% | 82.38% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 83.84% | 98.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.51% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.81% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.68% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.64% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.50% | 100.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.39% | 85.49% |
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 | 162940559 |
| LOTUS | LTS0224255 |
| wikiData | Q103816313 |