(2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1H-pyrrole-2-carboxylate
| Internal ID | 24a4b696-a448-4c58-98ea-d078d1bc960c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| SMILES (Isomeric) | CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| InChI | InChI=1S/C25H35NO10/c1-12(2)22(32)16(35-14(27)13-7-6-10-26-13)23(33)18(4)11-21(31)19(22,5)25(23,34)24(36-21)15(28)17(3,29)8-9-20(18,24)30/h6-7,10,12,15-16,26,28-34H,8-9,11H2,1-5H3 |
| InChI Key | REYPEWVSBJSDJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H35NO10 |
| Molecular Weight | 509.50 g/mol |
| Exact Mass | 509.22609631 g/mol |
| Topological Polar Surface Area (TPSA) | 193.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of (2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1H-pyrrole-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/990afe80-83f1-11ee-a785-8f2e5113a972.jpg "2D Structure of (2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.29% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.49% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.23% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.31% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.24% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.25% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.02% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.51% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.46% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.87% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.53% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.12% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.02% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.70% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.34% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.04% | 97.14% |
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 | 85182899 |
| LOTUS | LTS0177142 |
| wikiData | Q105235193 |