Dimethyl poricoate F
| Internal ID | f883483c-088d-4b63-819f-9fb1e65b925c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
| SMILES (Canonical) | CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)CO)C)C)O)C(=O)O |
| SMILES (Isomeric) | CC(C)C(=C)CCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)CO)C)C)O)C(=O)O |
| InChI | InChI=1S/C31H46O6/c1-18(2)19(3)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(20(4)17-32)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,18,21-22,25,27,32-33H,3-4,8-10,13-17H2,1-2,5-7H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
| InChI Key | RBBCMULWYWYPHY-KGXQETAESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H46O6 |
| Molecular Weight | 514.70 g/mol |
| Exact Mass | 514.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 5.20 |
| 2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
| 2-((2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta(a)naphthalen-3-yl)-6-methyl-5-methylideneheptanoic acid |
| RefChem:134267 |
| CHEBI:214745 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.96% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.46% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.51% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.70% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.21% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.50% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.45% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.36% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.89% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.22% | 94.45% |
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 | 139586031 |
| LOTUS | LTS0138129 |
| wikiData | Q77497317 |