(3S)-6-[(2S)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol
| Internal ID | 7917194a-acec-49fb-963f-2d6e7f04858f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans |
| IUPAC Name | (3S)-6-[(2S)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol |
| SMILES (Canonical) | CC(=CCC1=C2CC(C(OC2=C(C=C1C3CCC4=CC(=C(C=C4O3)O)C(C)(C)C=C)O)(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C[C@@H](C(OC2=C(C=C1[C@@H]3CCC4=CC(=C(C=C4O3)O)C(C)(C)C=C)O)(C)C)O)C |
| InChI | InChI=1S/C30H38O5/c1-8-29(4,5)22-13-18-10-12-25(34-26(18)16-23(22)31)20-14-24(32)28-21(19(20)11-9-17(2)3)15-27(33)30(6,7)35-28/h8-9,13-14,16,25,27,31-33H,1,10-12,15H2,2-7H3/t25-,27-/m0/s1 |
| InChI Key | PXCDCCIOLQVCFE-BDYUSTAISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O5 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (3S)-6-[(2S)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/f310f460-85fd-11ee-a6f5-6381a8c985f3.jpg "2D Structure of (3S)-6-[(2S)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-5-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,8-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 | 99.81% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.29% | 93.40% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 94.61% | 91.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.70% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.09% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.99% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.83% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.36% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.28% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.33% | 97.05% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.03% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.27% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.99% | 89.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.95% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.39% | 94.73% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.32% | 91.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.07% | 95.93% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.82% | 96.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.76% | 99.35% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 82.60% | 99.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.60% | 96.39% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.99% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.97% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.72% | 91.07% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.70% | 95.62% |
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 kazinoki |
| PubChem | 163041826 |
| LOTUS | LTS0181790 |
| wikiData | Q105216098 |