isopseudolarifuroic acid B
| Internal ID | 0035ec25-b228-437b-99f9-435678c71b13 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Bile acids, alcohols and derivatives > Hydroxy bile acids, alcohols and derivatives > Monohydroxy bile acids, alcohols and derivatives |
| IUPAC Name | (3R)-3-[(3R,5R,9S,10R,13S,17S)-3-hydroxy-4,4,10,13,17-pentamethyl-2,3,5,6,9,11,12,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H40O3/c1-16(15-22(28)29)25(5)13-10-19-17-7-8-20-23(2,3)21(27)11-12-24(20,4)18(17)9-14-26(19,25)6/h7,10,16,18,20-21,27H,8-9,11-15H2,1-6H3,(H,28,29)/t16-,18-,20+,21-,24-,25+,26-/m1/s1 |
| InChI Key | DNSLKYSOTQONTJ-XIJCTPQQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H40O3 |
| Molecular Weight | 400.60 g/mol |
| Exact Mass | 400.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.50 |
| RefChem:923776 |
| (3R)-3-((3R,5R,9S,10R,13S,17S)-3-hydroxy-4,4,10,13,17-pentamethyl-2,3,5,6,9,11,12,16-octahydro-1H-cyclopenta(a)phenanthren-17-yl)butanoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.76% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.10% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.10% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.53% | 97.25% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.67% | 94.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.28% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.79% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.56% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.81% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.00% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.59% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Larix kaempferi |
| PubChem | 101147487 |
| LOTUS | LTS0054331 |
| wikiData | Q104985717 |