(+)-Versicolamide B
| Internal ID | 87b59e7c-37c6-4ea5-95ad-8260f4a88094 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (1'S,3S,7'S,9'R)-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2NC(=O)[C@]34C[C@]56[C@@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)C |
| InChI | InChI=1S/C26H29N3O4/c1-22(2)10-8-14-16(33-22)7-6-15-18(14)27-20(31)25(15)13-26-17(23(25,3)4)12-24(19(30)28-26)9-5-11-29(24)21(26)32/h6-8,10,17H,5,9,11-13H2,1-4H3,(H,27,31)(H,28,30)/t17-,24+,25+,26+/m1/s1 |
| InChI Key | RNWRZMCJFWSZOX-XRNKBYASSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C26H29N3O4 |
| Molecular Weight | 447.50 g/mol |
| Exact Mass | 447.21580641 g/mol |
| Topological Polar Surface Area (TPSA) | 87.70 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.59% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.28% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.17% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.98% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.49% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.97% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.33% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.80% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.11% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.66% | 89.00% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 84.86% | 99.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.78% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.67% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.25% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.94% | 88.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.77% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.27% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.00% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.77% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.29% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.29% | 95.89% |
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 | 24879784 |
| LOTUS | LTS0076290 |
| wikiData | Q105241879 |