Dinklagin A
| Internal ID | 4cda5c7d-2ea0-435c-ace4-5cf0ca9b6fc2 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | (2S)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OC(CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)O[C@@H](CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)C |
| InChI | InChI=1S/C25H26O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3/t23-/m0/s1 |
| InChI Key | XPMXYEFQBQWMEC-QHCPKHFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O4 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.40 |
| 487010-46-8 |
| (2S)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| 7-Hydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| 6-(3,3-dimethylallyl)-7-hydroxy-6''', 6'''-dimethylchromeno-(4',3',2''',3''')-flavanone |
| 7-Hydroxy-6-prenyl-6'',6''-dimethylpyrano(2'',3'':4',3')flavanone |
| RefChem:134459 |
| (-)-6-(3,3-Dimethylallyl)-7-hydroxy-6''', 6'''-dimethylchromeno-(4',3',2''',3''')-flavanone |
| DTXSID90964102 |
| LMPK12140057 |
| (2S)-7-Hydroxy-2',2'-dimethyl-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-2'H,4H-[2,6'-bi-1-benzopyran]-4-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.52% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.92% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.16% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.17% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.58% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.45% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.44% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.15% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.01% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.91% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.14% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.39% | 94.73% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.86% | 85.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.03% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.97% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.36% | 99.23% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.02% | 92.51% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.94% | 94.80% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.53% | 97.28% |
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.
| Dorstenia dinklagei |
| PubChem | 636494 |
| LOTUS | LTS0052759 |
| wikiData | Q82946020 |