25-Methoxyporicoic Acid A
| Internal ID | c4684ca9-9198-48a7-bd59-727238a4aed2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methoxy-6-methyl-5-methylideneheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H48O6/c1-19(2)22-12-13-24-23(30(22,6)16-15-26(34)35)14-17-31(7)27(25(33)18-32(24,31)8)21(28(36)37)11-10-20(3)29(4,5)38-9/h13-14,21-22,25,27,33H,1,3,10-12,15-18H2,2,4-9H3,(H,34,35)(H,36,37)/t21-,22+,25-,27+,30+,31-,32+/m1/s1 |
| InChI Key | VZIHBVSTTFISKH-CPCIMIGGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H48O6 |
| Molecular Weight | 528.70 g/mol |
| Exact Mass | 528.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.50 |
| RefChem:910369 |
| 2-((2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta(a)naphthalen-3-yl)-6-methoxy-6-methyl-5-methylideneheptanoic acid |
| (2R)-2-((2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta(a)naphthalen-3-yl)-6-methoxy-6-methyl-5-methylideneheptanoic acid |
| 1186498-31-6 |
| CHEMBL1078640 |
| SCHEMBL30190219 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.26% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.47% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.59% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.10% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.87% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.28% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.96% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.96% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.88% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.32% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.28% | 95.56% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.33% | 94.97% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.25% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.34% | 86.33% |
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 | 46882628 |
| LOTUS | LTS0070702 |
| wikiData | Q105299776 |