[2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
| Internal ID | eea7b531-aef2-4699-9afb-bca44181acae |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-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)CO)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)CO)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| InChI | InChI=1S/C25H35NO10/c1-12(2)22(32)17(35-16(29)14-6-5-9-26-14)23(33)18(3)11-21(31)19(22,4)25(23,34)24(36-21)15(28)13(10-27)7-8-20(18,24)30/h5-6,9,12-13,15,17,26-28,30-34H,7-8,10-11H2,1-4H3 |
| InChI Key | KXWHVIGSKBPQQO-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 | -1.10 |
| There are no found synonyms. |
![2D Structure of [2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-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/2023/11/443ba6e0-85b1-11ee-8134-f9e509509328.jpg "2D Structure of [2,6,9,11,13,14-hexahydroxy-3-(hydroxymethyl)-7,10-dimethyl-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 | 99.01% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.21% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.85% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.79% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.00% | 95.89% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.92% | 93.67% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.88% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.92% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.82% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.40% | 95.93% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.15% | 97.28% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.51% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.42% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.90% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.34% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.20% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.53% | 82.69% |
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 | 162927319 |
| LOTUS | LTS0194561 |
| wikiData | Q105147562 |