2-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one
| Internal ID | 4a9b9538-acb6-4886-a3ab-ebb5ecd8c938 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
| IUPAC Name | 2-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C=C3)O)CC=C(C)CCC=C(C)C)O |
| SMILES (Isomeric) | CC1=C(C2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C=C3)O)CC=C(C)CCC=C(C)C)O |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-5-7-15(3)8-9-17-12-18(10-11-19(17)27)26-25(31)24(30)22-21(32-26)13-20(28)16(4)23(22)29/h6,8,10-13,25-29,31H,5,7,9H2,1-4H3 |
| InChI Key | SRVDAPAMFORADM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 2-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a4554990-8465-11ee-80a3-63963e3bd26f.jpg "2D Structure of 2-[3-(3,7-Dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one")
| 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 | 99.24% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.21% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.31% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.56% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.45% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.85% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.96% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.01% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.16% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.09% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.13% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.67% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.27% | 97.21% |
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.
| Campylotropis hirtella |
| PubChem | 74957500 |
| LOTUS | LTS0068055 |
| wikiData | Q105259440 |