9,10,17,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
| Internal ID | faa16408-7cf7-4819-afab-d6714e357fc5 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives |
| IUPAC Name | 9,10,17,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde |
| SMILES (Canonical) | CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CC(C6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O |
| SMILES (Isomeric) | CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CC(C6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O |
| InChI | InChI=1S/C29H40O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-19(27(16,13-30)11-21(20)39-29)10-22(31)26(2)17(5-6-28(18,26)34)15-8-24(33)36-12-15/h8,13-14,16-23,25,31-32,34-35H,3-7,9-12H2,1-2H3 |
| InChI Key | VPSWGLHADLBZCW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O10 |
| Molecular Weight | 548.60 g/mol |
| Exact Mass | 548.26214747 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 9,10,17,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/b0247360-864e-11ee-b182-09d9964a90fd.jpg "2D Structure of 9,10,17,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde")
| 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 | 96.29% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.23% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.67% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.98% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.44% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.10% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.47% | 92.86% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.97% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.69% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.04% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.85% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.62% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.52% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.43% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.38% | 97.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.83% | 81.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.78% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.79% | 93.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.66% | 94.80% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.42% | 97.36% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.27% | 91.38% |
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.
| Asclepias curassavica |
| PubChem | 56678047 |
| LOTUS | LTS0217128 |
| wikiData | Q105290987 |