Concrescenin B
| Internal ID | 40ff349a-0f8a-4643-a8d1-ec4b47d7edde |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | [2,5-diacetyloxy-4-benzoyloxy-3,6-bis(4-hydroxyphenyl)phenyl] benzoate |
| SMILES (Canonical) | CC(=O)OC1=C(C(=C(C(=C1OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)O)OC(=O)C)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O |
| SMILES (Isomeric) | CC(=O)OC1=C(C(=C(C(=C1OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)O)OC(=O)C)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O |
| InChI | InChI=1S/C36H26O10/c1-21(37)43-31-29(23-13-17-27(39)18-14-23)34(46-36(42)26-11-7-4-8-12-26)32(44-22(2)38)30(24-15-19-28(40)20-16-24)33(31)45-35(41)25-9-5-3-6-10-25/h3-20,39-40H,1-2H3 |
| InChI Key | RPQYNWGRNXWVBQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C36H26O10 |
| Molecular Weight | 618.60 g/mol |
| Exact Mass | 618.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.52% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.32% | 94.62% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.14% | 97.53% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.69% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.01% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.52% | 95.64% |
| CHEMBL4267 | P37173 | TGF-beta receptor type II | 86.44% | 88.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.35% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.37% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.99% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.96% | 94.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.04% | 94.73% |
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.
| There are no matching plants. |
| PubChem | 139587861 |
| LOTUS | LTS0192082 |
| wikiData | Q104196832 |