20-Hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid
| Internal ID | 826ecde7-0a2b-4cec-abbf-5b47744404d6 |
| 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 | 6-hydroxy-2-methyl-4-oxo-6-[(5R,10S,13R,14S)-4,4,10,13,14-pentamethyl-3,12,15-trioxo-1,2,5,6-tetrahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H38O7/c1-16(25(35)36)12-17(31)15-28(5,37)21-14-24(34)29(6)18-8-9-20-26(2,3)22(32)10-11-27(20,4)19(18)13-23(33)30(21,29)7/h8,13-14,16,20,37H,9-12,15H2,1-7H3,(H,35,36)/t16?,20-,27+,28?,29+,30-/m0/s1 |
| InChI Key | JFCYOZDABVWLAB-OGJFIDDRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H38O7 |
| Molecular Weight | 510.60 g/mol |
| Exact Mass | 510.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 1.10 |
| 6-hydroxy-2-methyl-4-oxo-6-[(5R,10S,13R,14S)-4,4,10,13,14-pentamethyl-3,12,15-trioxo-1,2,5,6-tetrahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid |
| 6-Hydroxy-2-methyl-4-oxo-6-((2S,7R,11S,15R)-2,6,6,11,15-pentamethyl-5,12,16-trioxotetracyclo(8.7.0.0,.0,)heptadeca-1(17),9,13-trien-14-yl)heptanoate |
| 6-hydroxy-2-methyl-4-oxo-6-((5R,10S,13R,14S)-4,4,10,13,14-pentamethyl-3,12,15-trioxo-1,2,5,6-tetrahydrocyclopenta(a)phenanthren-17-yl)heptanoic acid |
| 6-Hydroxy-2-methyl-4-oxo-6-[(2S,7R,11S,15R)-2,6,6,11,15-pentamethyl-5,12,16-trioxotetracyclo[8.7.0.0,.0,]heptadeca-1(17),9,13-trien-14-yl]heptanoate |
| RefChem:89567 |
| 20-Hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-Oate |
| CHEBI:220758 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.10% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.65% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.24% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.48% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.38% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.01% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.60% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.74% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.99% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.83% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.14% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 139591687 |
| LOTUS | LTS0087686 |
| wikiData | Q105126611 |