4,12,17,21,23,26-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 | e61794d0-805e-42bf-8a3a-d38301bcd38f |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 4,12,17,21,23,26-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=CC(=C(C=C2C3=CC(=C(C(=CC4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)Cl)C(=C3O)Cl)Cl)Cl)O |
| SMILES (Isomeric) | C1CC2=CC(=C(C=C2C3=CC(=C(C(=CC4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)Cl)C(=C3O)Cl)Cl)Cl)O |
| InChI | InChI=1S/C28H16Cl6O4/c29-18-9-14-13(8-23(18)35)2-1-11-3-15(26(36)21(32)5-11)16-4-12(7-22(33)27(16)37)6-19(30)24-20(31)10-17(14)28(38)25(24)34/h3-10,35-38H,1-2H2 |
| InChI Key | UOHJMCMKXCKMRC-UHFFFAOYSA-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 | 9.90 |
| There are no found synonyms. |
![2D Structure of 4,12,17,21,23,26-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/2023/11/3e549680-84f8-11ee-9b5d-f79f5fc48c3c.jpg "2D Structure of 4,12,17,21,23,26-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 | 99.03% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.33% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.83% | 95.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.01% | 99.15% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.80% | 95.34% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.45% | 91.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.38% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.16% | 96.09% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 83.74% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.03% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.69% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.41% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.37% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 81.01% | 90.71% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.90% | 93.24% |
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.
| Bazzania trilobata |
| PubChem | 163026182 |
| LOTUS | LTS0037774 |
| wikiData | Q105276366 |