[9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacos-14-en-7-yl] acetate
| Internal ID | c14a3451-b081-49a7-9303-b4f384a2f518 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | [9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacos-14-en-7-yl] acetate |
| SMILES (Canonical) | CC1CC(C2C(O1)OC3C=C4CC5C6(O5)C(C4(CC3O2)C)CCC7(C6(CC(C7C8=CC(=O)OC8)OC(=O)C)O)C)OC |
| SMILES (Isomeric) | CC1CC(C2C(O1)OC3C=C4CC5C6(O5)C(C4(CC3O2)C)CCC7(C6(CC(C7C8=CC(=O)OC8)OC(=O)C)O)C)OC |
| InChI | InChI=1S/C32H42O10/c1-15-8-20(36-5)27-28(38-15)41-19-10-18-11-24-32(42-24)23(29(18,3)12-21(19)40-27)6-7-30(4)26(17-9-25(34)37-14-17)22(39-16(2)33)13-31(30,32)35/h9-10,15,19-24,26-28,35H,6-8,11-14H2,1-5H3 |
| InChI Key | LFBZSSHTHCDZHY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42O10 |
| Molecular Weight | 586.70 g/mol |
| Exact Mass | 586.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacos-14-en-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/59a1cf10-85b6-11ee-a665-93c103d3f3c9.jpg "2D Structure of [9-hydroxy-22-methoxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacos-14-en-7-yl] acetate")
| 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 | 98.55% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.45% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.62% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.36% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.75% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.90% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.05% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.74% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.61% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.97% | 93.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.66% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.42% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.22% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.94% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.85% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.77% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.81% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.61% | 97.05% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.59% | 97.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.14% | 97.36% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.44% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.16% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.11% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.09% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.49% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.26% | 95.56% |
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.
| Elaeodendron buchananii |
| PubChem | 163060743 |
| LOTUS | LTS0040120 |
| wikiData | Q105150949 |