aigialomycin B
| Internal ID | 119ecf84-719f-49b4-b84f-5c45df5a9180 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (2R,4R,6S,7S,8S,9E,12S)-6,7,8,16-tetrahydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraen-14-one |
| SMILES (Canonical) | CC1CC=CC(C(C(CC2C(O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O)O |
| SMILES (Isomeric) | C[C@H]1C/C=C/[C@@H]([C@H]([C@H](C[C@@H]2[C@H](O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O)O |
| InChI | InChI=1S/C19H24O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,12,14-15,17-18,20-23H,4,8H2,1-2H3/b5-3+/t9-,12-,14-,15+,17+,18+/m0/s1 |
| InChI Key | NWBBODCXRAHUEM-AUEGCBRDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O8 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.10 |
| SCHEMBL20225744 |
| 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 | 99.67% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.50% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.92% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 94.09% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.07% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.65% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.40% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.77% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.47% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.23% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.93% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.90% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.23% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.98% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.28% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.99% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.89% | 83.82% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.75% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.62% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.89% | 82.67% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.24% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.50% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.44% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.43% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.02% | 97.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.84% | 97.36% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.06% | 97.21% |
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 | 11057991 |
| LOTUS | LTS0054987 |
| wikiData | Q77279571 |