(2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl) 1H-pyrrole-2-carboxylate
| Internal ID | 13702fc4-a539-4147-88fd-5025a31c3d98 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl) 1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | CC1=C(C(C2(C1(C34C(C(=C)C(CC3(C2(CC(=O)O4)C)O)O)O)O)O)OC(=O)C5=CC=CN5)C(C)C |
| SMILES (Isomeric) | CC1=C(C(C2(C1(C34C(C(=C)C(CC3(C2(CC(=O)O4)C)O)O)O)O)O)OC(=O)C5=CC=CN5)C(C)C |
| InChI | InChI=1S/C25H31NO9/c1-11(2)17-13(4)23(32)24(33,19(17)34-20(30)14-7-6-8-26-14)21(5)10-16(28)35-25(23)18(29)12(3)15(27)9-22(21,25)31/h6-8,11,15,18-19,26-27,29,31-33H,3,9-10H2,1-2,4-5H3 |
| InChI Key | INKREVWPFYFIDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31NO9 |
| Molecular Weight | 489.50 g/mol |
| Exact Mass | 489.19988157 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of (2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl) 1H-pyrrole-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6ae65e60-883e-11ee-8f9f-8b8b40dbe55c.jpg "2D Structure of (2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl) 1H-pyrrole-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.34% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.51% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.78% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.51% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.89% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.38% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.28% | 91.07% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.41% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.16% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.77% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.60% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.44% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.05% | 93.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.37% | 89.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.47% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.41% | 93.99% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.23% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.49% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.41% | 97.25% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.29% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.55% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.30% | 98.03% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.45% | 97.28% |
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.
| Ryania speciosa |
| PubChem | 162989450 |
| LOTUS | LTS0263070 |
| wikiData | Q105116273 |