CID 13769851
| Internal ID | 3b4aba3a-a879-4565-848f-ef071ed4bf32 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-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(=C)C5O)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(=C)C5O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O |
| InChI | InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3 |
| InChI Key | BPFNBBLVUYSFRK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C25H33NO9 |
| Molecular Weight | 491.50 g/mol |
| Exact Mass | 491.21553163 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | -1.10 |
| 94513-55-0 |
| FT-0642279 |
| (2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.62% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.50% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.50% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.25% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.75% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.24% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.34% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.59% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.31% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.01% | 91.07% |
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 | 13769851 |
| LOTUS | LTS0162986 |
| wikiData | Q104942084 |