[2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
| Internal ID | b1e5d239-7a01-43ee-bca3-c0d0fa7bbd52 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | CC(CO)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(=C)C5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| SMILES (Isomeric) | CC(CO)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(=C)C5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| InChI | InChI=1S/C25H33NO10/c1-12-7-8-20(30)18(3)11-21(31)19(4)22(32,13(2)10-27)17(35-16(29)14-6-5-9-26-14)23(18,33)25(19,34)24(20,36-21)15(12)28/h5-6,9,13,15,17,26-28,30-34H,1,7-8,10-11H2,2-4H3 |
| InChI Key | SVUNMRMTAXARBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H33NO10 |
| Molecular Weight | 507.50 g/mol |
| Exact Mass | 507.21044625 g/mol |
| Topological Polar Surface Area (TPSA) | 193.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of [2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-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/edd42a50-8233-11ee-98b2-7f6280594571.jpg "2D Structure of [2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.97% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.64% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.18% | 97.79% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.68% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.68% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.67% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.73% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.80% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.28% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.00% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.86% | 97.25% |
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 | 163047089 |
| LOTUS | LTS0135722 |
| wikiData | Q105262462 |