CID 162895055
| Internal ID | 7c0a2232-d4a9-4ef5-b7b4-2316f592289b |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | |
| SMILES (Canonical) | CC(C1C=CC2(O1)OC3=C(C4=C(C(=C3O2)C5=CC=C(C=C5)O)OC6(O4)C=CC(O6)C(C)O)C7=CC=C(C=C7)O)O |
| SMILES (Isomeric) | CC(C1C=CC2(O1)OC3=C(C4=C(C(=C3O2)C5=CC=C(C=C5)O)OC6(O4)C=CC(O6)C(C)O)C7=CC=C(C=C7)O)O |
| InChI | InChI=1S/C30H26O10/c1-15(31)21-11-13-29(35-21)37-25-23(17-3-7-19(33)8-4-17)27-28(40-30(39-27)14-12-22(36-30)16(2)32)24(26(25)38-29)18-5-9-20(34)10-6-18/h3-16,21-22,31-34H,1-2H3 |
| InChI Key | BSYSLLOYYVSZSS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O10 |
| Molecular Weight | 546.50 g/mol |
| Exact Mass | 546.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.17% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.40% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 94.55% | 89.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.94% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 92.91% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.72% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.39% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.43% | 83.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.88% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.76% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.67% | 94.73% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.00% | 97.64% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.75% | 91.38% |
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 | 162895055 |
| LOTUS | LTS0124506 |
| wikiData | Q104945468 |