Officimalonic acid H
| Internal ID | 4d31ef28-86ac-4d88-9541-bf0cb6b16258 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2S,6R)-6-[(3R,5R,10S,12R,13R,14S,17R)-12-hydroxy-3-(3-methoxy-3-oxopropanoyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54O7/c1-20(22(3)31(39)40)10-11-21(2)23-14-17-34(7)24-12-13-26-32(4,5)28(42-30(38)19-29(37)41-9)15-16-33(26,6)25(24)18-27(36)35(23,34)8/h21-23,26-28,36H,1,10-19H2,2-9H3,(H,39,40)/t21-,22+,23-,26+,27-,28-,33-,34+,35+/m1/s1 |
| InChI Key | VATQJYHZJDBTRN-FPTGVVBESA-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) | 110.00 Ų |
| XlogP | 7.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.70% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.67% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.41% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.48% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.00% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.83% | 95.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.72% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.91% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.76% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.70% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 84.82% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.07% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.06% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.96% | 92.62% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.04% | 82.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.69% | 89.50% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.33% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.03% | 95.89% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.45% | 95.71% |
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 | 139585089 |
| LOTUS | LTS0181515 |
| wikiData | Q77383048 |