6,6',10,10',12,12'-Hexachloroisoperrottetin A
| Internal ID | f22f74da-e2c0-486f-bdd9-894bfb979dcb |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 2,6-dichloro-3-[2-[3-chloro-5-[3-chloro-5-[2-(2,4-dichloro-3-hydroxyphenyl)ethyl]-2-hydroxyphenyl]-4-hydroxyphenyl]ethyl]phenol |
| SMILES (Canonical) | C1=CC(=C(C(=C1CCC2=CC(=C(C(=C2)Cl)O)C3=C(C(=CC(=C3)CCC4=C(C(=C(C=C4)Cl)O)Cl)Cl)O)Cl)O)Cl |
| SMILES (Isomeric) | C1=CC(=C(C(=C1CCC2=CC(=C(C(=C2)Cl)O)C3=C(C(=CC(=C3)CCC4=C(C(=C(C=C4)Cl)O)Cl)Cl)O)Cl)O)Cl |
| InChI | InChI=1S/C28H20Cl6O4/c29-19-7-5-15(23(33)27(19)37)3-1-13-9-17(25(35)21(31)11-13)18-10-14(12-22(32)26(18)36)2-4-16-6-8-20(30)28(38)24(16)34/h5-12,35-38H,1-4H2 |
| InChI Key | TXXVDUPOVDOCGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H20Cl6O4 |
| Molecular Weight | 633.20 g/mol |
| Exact Mass | 631.946325 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 10.30 |
| 3,3'-Dichloro-5,5'-bis[2-(2,4-dichloro-3-hydroxy-phenyl)-ethyl]-biphenyl-2,2'-diol |
| 3,3'-dichloro-5,5'-bis[2-(2,4-dichloro-3-hydroxyphenyl)ethyl]biphenyl-2,2'-diol |
| [1,1'-biphenyl]-2,2'-diol, 3,3'-dichloro-5,5'-bis[2-(2,4-dichloro-3-hydroxyphenyl)ethyl]- |
| InChI=1/C28H20Cl6O4/c29-19-7-5-15(23(33)27(19)37)3-1-13-9-17(25(35)21(31)11-13)18-10-14(12-22(32)26(18)36)2-4-16-6-8-20(30)28(38)24(16)34/h5-12,35-38H,1-4H |
| 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 | 97.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.90% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.87% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.36% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.45% | 90.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.76% | 95.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.74% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.59% | 90.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.28% | 96.09% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.26% | 95.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.63% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.99% | 89.34% |
| CHEMBL3194 | P02766 | Transthyretin | 83.78% | 90.71% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 82.28% | 91.79% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.10% | 93.81% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.36% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.30% | 89.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.23% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.26% | 94.45% |
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.
| Syzygiella colorata |
| PubChem | 637302 |
| LOTUS | LTS0080006 |
| wikiData | Q105267146 |