8,10,16,20,23,24,26,28,30,32,34,36,38-Tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[(5-oxooxolan-2-yl)methyl]-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one
| Internal ID | 557f9665-935f-49fe-b283-3135f6c370df |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 8,10,16,20,23,24,26,28,30,32,34,36,38-tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[(5-oxooxolan-2-yl)methyl]-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H92O17/c1-30-13-9-10-18-45(60)35(6)52(67)31(2)14-11-15-33(4)54(69)71-42(29-43-20-22-50(65)70-43)17-12-16-38(55)24-39(56)26-46(61)36(7)53(68)37(8)47(62)27-40(57)25-41(58)28-49(64)48(63)23-34(5)51(66)32(3)19-21-44(30)59/h9,12-13,15-16,19,21,23,30-32,35-49,51-53,55-64,66-68H,10-11,14,17-18,20,22,24-29H2,1-8H3 |
| InChI Key | BESCXASCUVBXDR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C54H92O17 |
| Molecular Weight | 1013.30 g/mol |
| Exact Mass | 1012.63345146 g/mol |
| Topological Polar Surface Area (TPSA) | 316.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 8,10,16,20,23,24,26,28,30,32,34,36,38-Tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[(5-oxooxolan-2-yl)methyl]-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/65b13e50-867f-11ee-872f-f7be6e870008.jpg "2D Structure of 8,10,16,20,23,24,26,28,30,32,34,36,38-Tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[(5-oxooxolan-2-yl)methyl]-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one")
| 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 | 97.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.59% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.71% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.42% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.13% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.40% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.82% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.66% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.22% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.99% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.90% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.64% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.27% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.06% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.83% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.65% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.64% | 91.07% |
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 | 163057128 |
| LOTUS | LTS0084641 |
| wikiData | Q104933511 |