Crossbyanol A
| Internal ID | f33db9f9-6e8e-4040-8c20-afdab5b9a849 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers > Bromodiphenyl ethers |
| IUPAC Name | 3-bromo-4-[2-bromo-4-(3-bromo-4-hydroxyphenoxy)-6-(2,4-dibromophenoxy)phenoxy]-2-(2,4-dibromophenoxy)phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H15Br7O6/c31-14-1-6-24(19(34)9-14)41-27-13-17(40-16-3-4-22(38)18(33)11-16)12-21(36)29(27)43-26-8-5-23(39)30(28(26)37)42-25-7-2-15(32)10-20(25)35/h1-13,38-39H |
| InChI Key | NBQGOUOMJQLWCZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H15Br7O6 |
| Molecular Weight | 1030.80 g/mol |
| Exact Mass | 1029.50908 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 12.20 |
| CHEMBL1097912 |
| DTXSID401046699 |
| 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 |
|---|---|---|---|---|
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 98.61% | 99.15% |
| CHEMBL240 | Q12809 | HERG | 97.54% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.32% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.66% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.28% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 88.00% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.99% | 95.78% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.06% | 83.57% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.86% | 89.62% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.06% | 96.12% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.12% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.72% | 99.17% |
| CHEMBL4617 | P11086 | Phenylethanolamine N-methyltransferase | 82.41% | 81.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.08% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.99% | 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.
| There are no matching plants. |
| PubChem | 46210880 |
| LOTUS | LTS0107794 |
| wikiData | Q75064780 |