Paecilomycin B
| Internal ID | a85fbdcd-9e1b-46f5-a9f9-e99f095e138e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,10S,12E,14R,15S,16S,18R)-6,14,16,18-tetrahydroxy-4-methoxy-10-methyl-9,19-dioxatricyclo[13.3.1.02,7]nonadeca-2(7),3,5,12-tetraen-8-one |
| SMILES (Canonical) | CC1CC=CC(C2C(CC(C(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]2[C@H](C[C@H]([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)18-15(23)8-14(22)17(27-18)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 | GNDKUQOAVULHDO-DORHYLSRSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H24O8 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 1.10 |
| CHEMBL1094534 |
| 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 | 99.45% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.71% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 94.12% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.99% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.99% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.69% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.92% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.43% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.19% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.19% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.01% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.89% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.50% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.11% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.79% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.44% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.40% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.71% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.02% | 98.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.88% | 96.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.35% | 97.36% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.27% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.80% | 91.49% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.30% | 82.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.92% | 97.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.68% | 97.14% |
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 | 46834555 |
| LOTUS | LTS0191763 |
| wikiData | Q77498637 |