Stachybocin A
| Internal ID | 64d35c3e-820c-4371-97ea-db1e3ef17e11 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | (2S)-2,6-bis[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]hexanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H70N2O10/c1-27-12-14-38-47(3,4)40(57)16-18-49(38,7)51(27)23-31-36(55)21-29-33(42(31)63-51)25-53(44(29)59)20-10-9-11-35(46(61)62)54-26-34-30(45(54)60)22-37(56)32-24-52(64-43(32)34)28(2)13-15-39-48(5,6)41(58)17-19-50(39,52)8/h21-22,27-28,35,38-41,55-58H,9-20,23-26H2,1-8H3,(H,61,62)/t27-,28-,35+,38?,39?,40-,41-,49+,50+,51-,52-/m1/s1 |
| InChI Key | OWEVPGFDPBONOA-JGNXWTFTSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C52H70N2O10 |
| Molecular Weight | 883.10 g/mol |
| Exact Mass | 882.50304643 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 8.30 |
| (2S)-2,6-Bis[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]hexanoic acid |
| 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 | 98.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.05% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.26% | 93.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.14% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.27% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.84% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.64% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.11% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.50% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.98% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.52% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.11% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.58% | 86.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.71% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.43% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.24% | 92.50% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.80% | 96.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.78% | 91.19% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.72% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.36% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.08% | 92.98% |
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 | 10557606 |
| LOTUS | LTS0212814 |
| wikiData | Q77517911 |