Bispolide A2
| Internal ID | bf882e8b-460f-4b87-8dac-0a5084ae925e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 10-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxybutan-2-yl]-20-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxybutan-2-yl]-5,9,15,19-tetraethyl-1,11-dioxacycloicosa-3,5,7,13,15,17-hexaene-2,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C63H102O18/c1-14-42-22-20-24-44(16-3)60(36(7)50(66)32-62(72)34-52(46(18-5)38(9)80-62)76-56-30-48(64)58(70)40(11)74-56)78-54(68)28-26-43(15-2)23-21-25-45(17-4)61(79-55(69)29-27-42)37(8)51(67)33-63(73-13)35-53(47(19-6)39(10)81-63)77-57-31-49(65)59(71)41(12)75-57/h20-29,36-41,44-53,56-61,64-67,70-72H,14-19,30-35H2,1-13H3 |
| InChI Key | OFYLDDSYNNQGMR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C63H102O18 |
| Molecular Weight | 1147.50 g/mol |
| Exact Mass | 1146.70661640 g/mol |
| Topological Polar Surface Area (TPSA) | 259.00 Ų |
| XlogP | 9.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.04% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.82% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.34% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.34% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.20% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.03% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.52% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.62% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.92% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.50% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.85% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.16% | 92.86% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 83.67% | 92.78% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.63% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.48% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.44% | 96.43% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.35% | 98.59% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.05% | 93.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.40% | 96.47% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 81.22% | 92.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.14% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.02% | 90.00% |
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 | 91402214 |
| LOTUS | LTS0211145 |
| wikiData | Q105254273 |