(12-Acetyloxy-4,5,7-tribenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl) pyridine-3-carboxylate
Internal ID | d4df8f3b-b1c0-4136-bd02-9ad1311cb0ee |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
IUPAC Name | (12-acetyloxy-4,5,7-tribenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl) pyridine-3-carboxylate |
SMILES (Canonical) | CC1CC(C(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7 |
SMILES (Isomeric) | CC1CC(C(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7 |
InChI | InChI=1S/C44H43NO11/c1-26-24-32(52-38(47)28-16-9-6-10-17-28)35(54-39(48)29-18-11-7-12-19-29)43(5)37(55-40(49)30-20-13-8-14-21-30)34(53-41(50)31-22-15-23-45-25-31)33-36(51-27(2)46)44(26,43)56-42(33,3)4/h6-23,25-26,32-37H,24H2,1-5H3 |
InChI Key | FMSHZBLGSXKBSB-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C44H43NO11 |
Molecular Weight | 761.80 g/mol |
Exact Mass | 761.28361119 g/mol |
Topological Polar Surface Area (TPSA) | 154.00 Ų |
XlogP | 7.30 |
There are no found synonyms. |
![2D Structure of (12-Acetyloxy-4,5,7-tribenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl) pyridine-3-carboxylate 2D Structure of (12-Acetyloxy-4,5,7-tribenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl) pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d85f01d0-87cb-11ee-bacb-972a7d7060a0.jpg)
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 |
---|---|---|---|---|
CHEMBL2996 | Q05655 | Protein kinase C delta | 97.47% | 97.79% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.72% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.15% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.72% | 99.23% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.39% | 94.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.35% | 91.11% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.63% | 81.11% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.29% | 83.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.45% | 91.49% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.38% | 94.08% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.98% | 90.17% |
CHEMBL5028 | O14672 | ADAM10 | 85.51% | 97.50% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.57% | 90.00% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.83% | 93.10% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.80% | 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.
Tripterygium wilfordii |
PubChem | 14828961 |
LOTUS | LTS0095495 |
wikiData | Q104998028 |