8-Chlororugulovasine A
| Internal ID | 8c2e7dee-149a-4595-869a-e11d98aee6b4 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m0/s1 |
| InChI Key | SDYOUVJWVNBXPX-BLLLJJGKSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H15ClN2O2 |
| Molecular Weight | 302.75 g/mol |
| Exact Mass | 302.0822054 g/mol |
| Topological Polar Surface Area (TPSA) | 54.10 Ų |
| XlogP | 2.50 |
| Toxin B (Penicillium islandicum) |
| 59787-45-0 |
| L5FM3F581N |
| DTXSID50208519 |
| (4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one |
| (4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro(3,4-dihydro-1H-benzo(cd)indole-5,5'-furan)-2'-one |
| RefChem:107029 |
| DTXCID50131010 |
| UNII-L5FM3F581N |
| CHEBI:222552 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.90% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.28% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.32% | 93.99% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.35% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.55% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.09% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.06% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.65% | 85.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.56% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.28% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.18% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.88% | 97.79% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.08% | 96.39% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.09% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.93% | 98.59% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.31% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.47% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.10% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.85% | 100.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.02% | 88.84% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.22% | 95.55% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.02% | 89.62% |
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 | 3036626 |
| LOTUS | LTS0070989 |
| wikiData | Q83082637 |