(20E)-4,6,12,17,23,26-hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol
| Internal ID | 8dfd1f05-682b-41d5-b861-6c922f191676 |
| Taxonomy | Organohalogen compounds > Aryl halides > Aryl chlorides |
| IUPAC Name | (20E)-4,6,12,17,23,26-hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol |
| SMILES (Canonical) | C1CC2=C(C(=C(C=C2C3=CC(=C(C=CC4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)C(=C3O)Cl)Cl)Cl)O)Cl |
| SMILES (Isomeric) | C1CC2=C(C(=C(C=C2C3=CC(=C(/C=C/C4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)C(=C3O)Cl)Cl)Cl)O)Cl |
| InChI | InChI=1S/C28H16Cl6O4/c29-19-10-18-15-9-22(32)28(38)23(33)13(15)3-1-11-5-16(25(35)20(30)7-11)17-6-12(8-21(31)26(17)36)2-4-14(19)24(34)27(18)37/h2,4-10,35-38H,1,3H2/b4-2+ |
| InChI Key | MDOMQLVGLJBUIB-DUXPYHPUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H16Cl6O4 |
| Molecular Weight | 629.10 g/mol |
| Exact Mass | 627.915025 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 10.20 |
| There are no found synonyms. |
![2D Structure of (20E)-4,6,12,17,23,26-hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/cfdee130-8730-11ee-b475-5d37d8465043.jpg "2D Structure of (20E)-4,6,12,17,23,26-hexachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,13,16,24-tetrol")
| 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 | 98.88% | 91.11% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 91.13% | 95.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.90% | 98.95% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 86.78% | 91.79% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.71% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.50% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.45% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.42% | 90.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.43% | 91.00% |
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.
| Lepidozia incurvata |
| PubChem | 101231110 |
| LOTUS | LTS0260741 |
| wikiData | Q105161869 |