5-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
| Internal ID | 2abcc27c-b80e-4b21-9704-0ac99ef79358 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans |
| IUPAC Name | 5-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol |
| SMILES (Canonical) | CC(=CCC1=C(C(=C(C=C1C2CCC3=CC(=C(C=C3O2)O)C(C)(C)C=C)O)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C(C=C1C2CCC3=CC(=C(C=C3O2)O)C(C)(C)C=C)O)O)CC=C(C)C)C |
| InChI | InChI=1S/C30H38O4/c1-8-30(6,7)24-15-20-11-14-27(34-28(20)17-25(24)31)23-16-26(32)29(33)22(13-10-19(4)5)21(23)12-9-18(2)3/h8-10,15-17,27,31-33H,1,11-14H2,2-7H3 |
| InChI Key | RPBKTSQYNACKIG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O4 |
| Molecular Weight | 462.60 g/mol |
| Exact Mass | 462.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of 5-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/88fdc320-8639-11ee-abc2-6d332965da0c.jpg "2D Structure of 5-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol")
| 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 | 99.65% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.12% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.85% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.51% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.46% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.94% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.86% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.69% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.07% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.38% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.63% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.38% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.59% | 90.24% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.29% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.04% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.20% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.48% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.76% | 99.43% |
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.
| Broussonetia papyrifera |
| PubChem | 21594925 |
| LOTUS | LTS0178937 |
| wikiData | Q105242595 |