(2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | beb1cdbb-1a3d-4c11-bc5f-e027f87111b5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)CC=C(C)C)O)CC=C(C)C)O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C(=C(C(=C3O2)CC=C(C)C)O)CC=C(C)C)O)OC)O)C |
| InChI | InChI=1S/C31H38O6/c1-17(2)8-11-20-14-21(15-26(36-7)28(20)33)25-16-24(32)27-30(35)22(12-9-18(3)4)29(34)23(31(27)37-25)13-10-19(5)6/h8-10,14-15,25,33-35H,11-13,16H2,1-7H3/t25-/m0/s1 |
| InChI Key | LBUIMKICYMGNNI-VWLOTQADSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H38O6 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of (2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/87f172b0-846c-11ee-b696-0d560f49b3cb.jpg "2D Structure of (2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-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 | 99.68% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.43% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.92% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.78% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.30% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.87% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.48% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.61% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.32% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.50% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.16% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.50% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.01% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.36% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.41% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.17% | 90.00% |
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.
| Amorpha fruticosa |
| PubChem | 162964121 |
| LOTUS | LTS0187713 |
| wikiData | Q105149655 |