Asperfloroid
| Internal ID | 52928fd3-b85d-4652-a472-e7995c24bd0f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 11-oxosteroids |
| IUPAC Name | (2R,4S,6R,7S,8R,9S,10R,13S,16S)-2,10,16-trihydroxy-6-[(1R,2R)-1-hydroxy-2,3-dimethylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-11,20-dione |
| SMILES (Canonical) | CC1C2C(CC3(C2(C(C(=O)C4=C3C(=O)C=C5C4(CCC(C5)O)C)O)C)O)OC1C(C(C)C(C)C)O |
| SMILES (Isomeric) | C[C@H]1[C@H]2[C@H](C[C@]3([C@@]2([C@H](C(=O)C4=C3C(=O)C=C5[C@@]4(CC[C@@H](C5)O)C)O)C)O)O[C@H]1[C@@H]([C@H](C)C(C)C)O |
| InChI | InChI=1S/C28H40O7/c1-12(2)13(3)22(31)24-14(4)19-18(35-24)11-28(34)20-17(30)10-15-9-16(29)7-8-26(15,5)21(20)23(32)25(33)27(19,28)6/h10,12-14,16,18-19,22,24-25,29,31,33-34H,7-9,11H2,1-6H3/t13-,14+,16+,18+,19+,22-,24-,25+,26+,27+,28+/m1/s1 |
| InChI Key | KAWJFORYVWDFHD-DDKJNFERSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H40O7 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.65% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.26% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.64% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.19% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.83% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.57% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.54% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.49% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.23% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.73% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.69% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.33% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.82% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.85% | 99.23% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 83.73% | 92.78% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.97% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.89% | 96.61% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.88% | 83.57% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.74% | 97.79% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.34% | 94.66% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.21% | 90.17% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.06% | 95.00% |
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.
To see more specific details click the taxa you are interested in.
| Vigna angularis |
| PubChem | 146682055 |
| LOTUS | LTS0072668 |
| wikiData | Q104986064 |