(20E)-4,17,21,23-tetrachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol
| Internal ID | 59a88e06-e3b2-4b95-b6a9-01920a1057a0 |
| Taxonomy | Benzenoids > Phenols > Halophenols |
| IUPAC Name | (20E)-4,17,21,23-tetrachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol |
| SMILES (Canonical) | C1CC2=CC(=C(C=C2C3=C(C(=C(C=C3)C(=CC4=CC(=C(C(=C4)Cl)O)C5=C(C=CC1=C5)O)Cl)Cl)O)Cl)O |
| SMILES (Isomeric) | C1CC2=CC(=C(C=C2C3=C(C(=C(C=C3)/C(=C\C4=CC(=C(C(=C4)Cl)O)C5=C(C=CC1=C5)O)/Cl)Cl)O)Cl)O |
| InChI | InChI=1S/C28H18Cl4O4/c29-21-9-14-8-20(27(35)23(31)10-14)19-7-13(2-6-24(19)33)1-3-15-11-25(34)22(30)12-18(15)16-4-5-17(21)26(32)28(16)36/h2,4-12,33-36H,1,3H2/b21-9+ |
| InChI Key | VKYRQUNAQLLRJK-ZVBGSRNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H18Cl4O4 |
| Molecular Weight | 560.20 g/mol |
| Exact Mass | 559.992970 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 8.70 |
| There are no found synonyms. |
![2D Structure of (20E)-4,17,21,23-tetrachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/c969b540-85a1-11ee-984b-718dd052b0e8.jpg "2D Structure of (20E)-4,17,21,23-tetrachloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-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 | 99.32% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.44% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.76% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.89% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.58% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.35% | 95.93% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.45% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.67% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.85% | 98.35% |
| CHEMBL3194 | P02766 | Transthyretin | 83.60% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.09% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.08% | 93.40% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.07% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.24% | 89.62% |
| CHEMBL4617 | P11086 | Phenylethanolamine N-methyltransferase | 82.01% | 81.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.05% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.91% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.66% | 96.09% |
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 | 101938852 |
| LOTUS | LTS0028549 |
| wikiData | Q105288213 |