Spirobrocazine B
| Internal ID | e80f1f50-2ce7-463c-9d41-5ee89b7ce158 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,10aR)-6-hydroxy-10a-methylsulfanylspiro[2,10-dihydropyrazino[1,2-a]indole-3,2'-3H-1-benzofuran]-1,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H16N2O4S/c1-26-19-10-12-6-4-7-13(22)15(12)21(19)17(24)18(20-16(19)23)9-11-5-2-3-8-14(11)25-18/h2-8,22H,9-10H2,1H3,(H,20,23)/t18-,19+/m0/s1 |
| InChI Key | QEJFLMXVVNWJQD-RBUKOAKNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H16N2O4S |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.08307817 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.40 |
| (2S,10'AR)-1',6'-dihydroxy-10'a-(methylsulphanyl)-10',10'a-dihydro-3H,4'H-spiro(1-benzofuran-2,3'-pyrazino(1,2-a)indole)-4'-one |
| (2S,10'AR)-1',6'-dihydroxy-10'a-(methylsulphanyl)-10',10'a-dihydro-3H,4'H-spiro[1-benzofuran-2,3'-pyrazino[1,2-a]indole]-4'-one |
| (3S,10aR)-10a-methylsulfanylspiro(2,10-dihydropyrazino(1,2-a)indole-3,2'-3H-1-benzofuran)-1,4-dione |
| (3S,10aR)-10a-methylsulfanylspiro[2,10-dihydropyrazino[1,2-a]indole-3,2'-3H-1-benzofuran]-1,4-dione |
| (3S,10aR)-6-hydroxy-10a-methylsulfanylspiro(2,10-dihydropyrazino(1,2-a)indole-3,2'-3H-1-benzofuran)-1,4-dione |
| (3S,10aR)-6-hydroxy-10a-methylsulfanylspiro[2,10-dihydropyrazino[1,2-a]indole-3,2'-3H-1-benzofuran]-1,4-dione |
| RefChem:184835 |
| CHEBI:198795 |
| (3S,10aR)-6-hydroxy-10a-methylsulanylspiro[2,10-dihydropyrazino[1,2-a]indole-3,2'-3H-1-benzouran]-1,4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.74% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.35% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.35% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.28% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.11% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.99% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.40% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.33% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.20% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.03% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.27% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.01% | 94.73% |
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 | 132600335 |
| LOTUS | LTS0130770 |
| wikiData | Q75063167 |