Bispolide B3
| Internal ID | da067354-2840-4bc5-be05-2be352b32bda |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 10-[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-20-[4-[5-ethyl-2-methoxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-3-hydroxybutan-2-yl]-1,11-dioxacycloicosa-3,5,7,13,15,17-hexaene-2,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C64H104O19/c1-15-42-23-21-25-44(17-3)60(36(7)49(66)32-63(74-13)34-51(46(19-5)38(9)82-63)78-55-31-48(65)56(70)40(11)76-55)80-53(68)29-27-43(16-2)24-22-26-45(18-4)61(81-54(69)30-28-42)37(8)50(67)33-64(75-14)35-52(47(20-6)39(10)83-64)79-62-59(73)58(72)57(71)41(12)77-62/h21-30,36-41,44-52,55-62,65-67,70-73H,15-20,31-35H2,1-14H3 |
| InChI Key | FNUWGZCRYWZINI-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C64H104O19 |
| Molecular Weight | 1177.50 g/mol |
| Exact Mass | 1176.71718108 g/mol |
| Topological Polar Surface Area (TPSA) | 268.00 Ų |
| XlogP | 8.10 |
| 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 | 99.81% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.78% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.66% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.80% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.62% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.55% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.51% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.47% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.43% | 95.93% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 86.85% | 92.78% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.48% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.25% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.77% | 96.47% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.37% | 92.86% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.29% | 96.43% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.88% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.23% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.86% | 97.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.75% | 98.59% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.71% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.14% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.01% | 100.00% |
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 | 90843838 |
| LOTUS | LTS0197420 |
| wikiData | Q77492280 |