Epicochalasine B
| Internal ID | 763794ff-2f10-4e84-8f5c-7c4a64581776 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,3S,5S,6R,11S,14S,15R,16S,19S,21S,22S,23R,25S,27S,29S,30S,35R)-1,3,6,29-tetrahydroxy-9,13,14,27,30-pentamethyl-16-(2-methylpropyl)-4,24,33-trioxa-17-azaundecacyclo[28.6.1.02,23.02,26.03,29.05,22.011,19.015,19.021,25.026,35.031,35]heptatriaconta-9,12,31-triene-18,20,28,36,37-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H49NO12/c1-15(2)10-21-26-18(5)17(4)12-20-11-16(3)8-9-22(44)27-24-25(29(46)37(20,26)34(49)43-21)30-38-19(6)28(45)41(51)35(7)23-13-53-14-36(23,38)33(48)39(50,32(35)47)40(38,31(24)54-30)42(41,52)55-27/h11-13,15,18-22,24-27,30-31,44,50-52H,8-10,14H2,1-7H3,(H,43,49)/t18-,19-,20+,21+,22-,24-,25-,26+,27-,30+,31-,35-,36+,37+,38?,39+,40?,41-,42+/m1/s1 |
| InChI Key | XRWZEKHWGQZZIW-HZEKMFFZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H49NO12 |
| Molecular Weight | 759.80 g/mol |
| Exact Mass | 759.32547600 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | -0.60 |
| 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 | 99.19% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.86% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.75% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.79% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.82% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.49% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.14% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.41% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.23% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.87% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.49% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.29% | 93.40% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.04% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.40% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.56% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.60% | 88.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.60% | 96.90% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.52% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.64% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.12% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.47% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.00% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.61% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.16% | 94.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.07% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.05% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.99% | 93.04% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.58% | 97.79% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.14% | 86.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139591480 |
| LOTUS | LTS0084159 |
| wikiData | Q105340861 |