Catenulisporolide B
| Internal ID | 0fba74ab-ddc0-498f-8ef5-2049724043d3 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1S,3R,11R,12S,13E,15E,17Z,19S,21R,23S,25S,26R)-11-[(2R,3S,4R,5R,6S)-6-[(2R,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-3,5,8-trimethylnonyl]-1,3,19,25-tetrahydroxy-21-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12,26-dimethyl-10,27-dioxabicyclo[21.3.1]heptacosa-13,15,17-trien-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H100O20/c1-31(2)22-47(76-53-29-49(57(68)38(9)73-53)77-51-27-45(63)55(66)36(7)71-51)34(5)54(65)33(4)43(61)26-46-32(3)18-14-11-12-15-19-39(59)23-41(74-52-28-48(70-10)56(67)37(8)72-52)24-42-25-44(62)35(6)58(69,78-42)30-40(60)20-16-13-17-21-50(64)75-46/h11-12,14-15,18-19,31-49,51-57,59-63,65-69H,13,16-17,20-30H2,1-10H3/b12-11+,18-14+,19-15-/t32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49+,51-,52-,53-,54+,55+,56+,57+,58-/m0/s1 |
| InChI Key | MIIGOBPMKCUKCU-RSSLBOJYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C58H100O20 |
| Molecular Weight | 1117.40 g/mol |
| Exact Mass | 1116.68079558 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | 5.00 |
| RefChem:123985 |
| (1S,3R,11R,12S,13E,15E,17Z,19S,21R,23S,25S,26R)-11-((2R,3S,4R,5R,6S)-6-((2R,4R,5R,6R)-4-((2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl)oxy-2,4-dihydroxy-3,5,8-trimethylnonyl)-1,3,19,25-tetrahydroxy-21-((2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-12,26-dimethyl-10,27-dioxabicyclo(21.3.1)heptacosa-13,15,17-trien-9-one |
| (1S,3R,11R,12S,13E,15E,17Z,19S,21R,23S,25S,26R)-11-[(2R,3S,4R,5R,6S)-6-[(2R,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-3,5,8-trimethylnonyl]-1,3,19,25-tetrahydroxy-21-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12,26-dimethyl-10,27-dioxabicyclo[21.3.1]heptacosa-13,15,17-trien-9-one |
| CHEBI:217318 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.24% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.66% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.51% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.88% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.45% | 93.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.23% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.74% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.58% | 96.77% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.09% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.97% | 97.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.84% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.57% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.23% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.71% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.49% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.99% | 89.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.99% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.96% | 96.38% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.42% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.35% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.51% | 96.21% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.33% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.15% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.29% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.79% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.53% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.41% | 95.93% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.35% | 92.50% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.02% | 97.78% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.01% | 89.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.85% | 90.24% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.53% | 92.68% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.36% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.11% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.49% | 90.71% |
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 | 139591194 |
| LOTUS | LTS0130616 |
| wikiData | Q105164809 |