Ryanodyl-3-pdc
Internal ID | 503a090f-d5f4-432b-9ec9-8695046ac0ca |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | [(2R,3S,6S,7R,9R,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] pyridine-3-carboxylate |
SMILES (Canonical) | CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CN=CC=C6)(C(C)C)O)C)O)C)O |
SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@]3(C[C@@]4([C@]5([C@]([C@H]([C@@]3([C@]5(C2([C@@H]1O)O4)O)O)OC(=O)C6=CN=CC=C6)(C(C)C)O)C)O)C)O |
InChI | InChI=1S/C26H35NO9/c1-13(2)23(32)18(35-17(29)15-7-6-10-27-11-15)24(33)19(4)12-22(31)20(23,5)26(24,34)25(36-22)16(28)14(3)8-9-21(19,25)30/h6-7,10-11,13-14,16,18,28,30-34H,8-9,12H2,1-5H3/t14-,16+,18+,19+,20-,21-,22+,23+,24+,25?,26+/m0/s1 |
InChI Key | BLVJZMYEPDTENS-FNAYAIJXSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C26H35NO9 |
Molecular Weight | 505.60 g/mol |
Exact Mass | 505.23118169 g/mol |
Topological Polar Surface Area (TPSA) | 170.00 Ų |
XlogP | -0.60 |
137441-82-8 |
Ryanodol, 3-(3-pyridinecarboxylate) |
DTXSID50929797 |
4,6,7,8a,8b,9a-Hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl pyridine-3-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 | 96.75% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.21% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 92.99% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.87% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.81% | 95.89% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 88.79% | 97.79% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.53% | 85.30% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.30% | 91.07% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.39% | 89.00% |
CHEMBL2535 | P11166 | Glucose transporter | 84.02% | 98.75% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.70% | 96.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.36% | 91.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.10% | 100.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.73% | 93.56% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.41% | 90.17% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.20% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.39% | 97.25% |
CHEMBL5028 | O14672 | ADAM10 | 80.29% | 97.50% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.28% | 100.00% |
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 | 5748312 |
LOTUS | LTS0191600 |
wikiData | Q82904903 |