(24E)-3beta,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
| Internal ID | 598a7560-6d74-498e-bc64-71bf1b040e4a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (E,6R)-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54O7/c1-20(12-11-13-21(2)31(38)39)25-18-29(42-23(4)37)35(9)30-24(14-17-34(25,35)8)33(7)16-15-28(41-22(3)36)32(5,6)27(33)19-26(30)40-10/h13,20,25-29H,11-12,14-19H2,1-10H3,(H,38,39)/b21-13+/t20-,25-,26-,27+,28+,29+,33-,34-,35+/m1/s1 |
| InChI Key | TXMSDWRHMDOBBH-RZEVXVDLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H54O7 |
| Molecular Weight | 586.80 g/mol |
| Exact Mass | 586.38695406 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 6.70 |
| (24E)-3beta,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.07% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.77% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.54% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.92% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.26% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.44% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.67% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.64% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.64% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.91% | 93.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.70% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.57% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.40% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.00% | 94.33% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 83.23% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.21% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.75% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.33% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.23% | 99.23% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.66% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.23% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.76% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.62% | 89.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.56% | 97.05% |
| CHEMBL5028 | O14672 | ADAM10 | 80.40% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.32% | 92.62% |
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 | 132606944 |
| LOTUS | LTS0052158 |
| wikiData | Q105266854 |