7,8,18,24-Tetrahydroxy-26-[4-hydroxy-4-[3-(2-hydroxy-1-methoxypentyl)-2-methyloxiran-2-yl]but-1-enyl]-17,25-dimethoxy-11,13,21,23-tetramethyl-1-oxacyclohexacosa-3,5,9,11,19,21-hexaen-2-one
| Internal ID | 30330323-76f5-474a-b799-bed1e89e7d9d |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 7,8,18,24-tetrahydroxy-26-[4-hydroxy-4-[3-(2-hydroxy-1-methoxypentyl)-2-methyloxiran-2-yl]but-1-enyl]-17,25-dimethoxy-11,13,21,23-tetramethyl-1-oxacyclohexacosa-3,5,9,11,19,21-hexaen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H70O12/c1-10-15-35(48)41(53-8)43-44(6,56-43)38(49)20-14-19-37-42(54-9)40(51)31(5)27-30(4)23-25-34(47)36(52-7)18-13-16-28(2)26-29(3)22-24-33(46)32(45)17-11-12-21-39(50)55-37/h11-12,14,17,19,21-28,31-38,40-43,45-49,51H,10,13,15-16,18,20H2,1-9H3 |
| InChI Key | XRUWJLVJXCQEIB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H70O12 |
| Molecular Weight | 791.00 g/mol |
| Exact Mass | 790.48672766 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 7,8,18,24-Tetrahydroxy-26-[4-hydroxy-4-[3-(2-hydroxy-1-methoxypentyl)-2-methyloxiran-2-yl]but-1-enyl]-17,25-dimethoxy-11,13,21,23-tetramethyl-1-oxacyclohexacosa-3,5,9,11,19,21-hexaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/483d2ae0-8674-11ee-a190-69fc99cb1539.jpg "2D Structure of 7,8,18,24-Tetrahydroxy-26-[4-hydroxy-4-[3-(2-hydroxy-1-methoxypentyl)-2-methyloxiran-2-yl]but-1-enyl]-17,25-dimethoxy-11,13,21,23-tetramethyl-1-oxacyclohexacosa-3,5,9,11,19,21-hexaen-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.87% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.78% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.26% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.89% | 93.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.15% | 97.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.83% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.57% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.40% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.03% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.12% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.90% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.38% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.09% | 92.94% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 85.05% | 95.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.80% | 96.43% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.36% | 100.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.99% | 83.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.20% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.72% | 94.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.70% | 94.73% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.49% | 97.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.40% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.14% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.80% | 91.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.70% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.26% | 91.07% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.89% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.27% | 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.
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| There are no matching plants. |
| PubChem | 73318247 |
| LOTUS | LTS0069335 |
| wikiData | Q104201290 |