Metachromin U
| Internal ID | f2e45cc3-2ddf-4b80-b16a-ab76b3ca6a04 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-8-methoxy-2-methylchromen-6-ol |
| SMILES (Canonical) | CC1(CCCC(=C)C1CCC2(C=CC3=C(O2)C(=CC(=C3)O)OC)C)C |
| SMILES (Isomeric) | CC1(CCCC(=C)C1CCC2(C=CC3=C(O2)C(=CC(=C3)O)OC)C)C |
| InChI | InChI=1S/C22H30O3/c1-15-7-6-10-21(2,3)18(15)9-12-22(4)11-8-16-13-17(23)14-19(24-5)20(16)25-22/h8,11,13-14,18,23H,1,6-7,9-10,12H2,2-5H3 |
| InChI Key | OKZZLCIFQGFNCQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 5.60 |
| CHEBI:68113 |
| CHEMBL1784270 |
| Q27136605 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.88% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.99% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.55% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.78% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.70% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.41% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.77% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.43% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.22% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.47% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.44% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.84% | 85.14% |
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 | 53262704 |
| LOTUS | LTS0097143 |
| wikiData | Q27136605 |