Nigrospine
| Internal ID | 4e83a08c-9a34-438e-9304-989cfb182ff4 |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | (3S,3aS,8bS)-3a,8,8b-trihydroxy-6-[(2S,3R)-3-hydroxybutan-2-yl]-3-[(1R)-1-hydroxyethyl]-2,7-dimethyl-3H-[1]benzofuro[2,3-c]pyrrol-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H25NO7/c1-7(9(3)20)11-6-12-13(14(22)8(11)2)17(24)16(23)19(5)15(10(4)21)18(17,25)26-12/h6-7,9-10,15,20-22,24-25H,1-5H3/t7-,9-,10-,15+,17-,18+/m1/s1 |
| InChI Key | JELWCSRCEBMYQY-NFCVBWQWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H25NO7 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.16310214 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 0.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.78% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.17% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.87% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.21% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.42% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.55% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.44% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.21% | 85.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.74% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.64% | 89.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.87% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.61% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.42% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.47% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.50% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.57% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.35% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.03% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.38% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.18% | 93.56% |
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 | 139588196 |
| LOTUS | LTS0085253 |
| wikiData | Q105126195 |