(24E)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
| Internal ID | b791e59e-4f7e-4562-9d2d-9c6850e4dac8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
| IUPAC Name | (3S,4R,8R,9R,10S,13R,14S,17R)-17-[(E)-6-carboxyhept-5-en-2-yl]-3-hydroxy-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O5/c1-18(8-7-9-19(2)25(32)33)20-14-15-29(5)23-12-10-22-21(27(23,3)16-17-28(20,29)4)11-13-24(31)30(22,6)26(34)35/h9-10,18,20-21,23-24,31H,7-8,11-17H2,1-6H3,(H,32,33)(H,34,35)/b19-9+/t18?,20-,21-,23-,24+,27+,28-,29+,30-/m1/s1 |
| InChI Key | HRYAAXQQFUABSY-NWKDZZQZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 7.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.02% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.90% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.77% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.88% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.56% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.36% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.30% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.19% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.03% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.92% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.02% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.82% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.74% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.82% | 95.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.67% | 94.75% |
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 | 146682687 |
| LOTUS | LTS0124839 |
| wikiData | Q105032885 |