17,21,23-Trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol
| Internal ID | d31c3128-e91c-4603-b389-c94198acc916 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 17,21,23-trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol |
| SMILES (Canonical) | C1CC2=C(C=CC(=C2)O)C3=C(C(=C(C=C3)C(=CC4=CC(=C(C(=C4)Cl)O)C5=C(C=CC1=C5)O)Cl)Cl)O |
| SMILES (Isomeric) | C1CC2=C(C=CC(=C2)O)C3=C(C(=C(C=C3)C(=CC4=CC(=C(C(=C4)Cl)O)C5=C(C=CC1=C5)O)Cl)Cl)O |
| InChI | InChI=1S/C28H19Cl3O4/c29-23-11-15-10-22(27(34)24(30)12-15)21-9-14(2-8-25(21)33)1-3-16-13-17(32)4-5-18(16)19-6-7-20(23)26(31)28(19)35/h2,4-13,32-35H,1,3H2 |
| InChI Key | JDHHJAPMKFKOCE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H19Cl3O4 |
| Molecular Weight | 525.80 g/mol |
| Exact Mass | 524.034892 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of 17,21,23-Trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/66e43850-86a5-11ee-835b-81e141604e72.jpg "2D Structure of 17,21,23-Trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2(7),3,5,10(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 | 99.25% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.02% | 91.49% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.92% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.34% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.20% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.75% | 95.93% |
| CHEMBL3194 | P02766 | Transthyretin | 88.58% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.63% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.38% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.20% | 95.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.52% | 91.71% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.51% | 91.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.25% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.44% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.02% | 94.73% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.85% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.07% | 95.89% |
| CHEMBL267 | P12931 | Tyrosine-protein kinase SRC | 82.06% | 95.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.10% | 96.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.72% | 85.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.68% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.36% | 95.34% |
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 | 162945329 |
| LOTUS | LTS0121133 |
| wikiData | Q105125493 |