(3S)-3-[2,4-dihydroxy-3-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | 59c4dafb-cafd-4a25-8044-ab6fbe06c58f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (3S)-3-[2,4-dihydroxy-3-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C2COC3=CC(=CC(=C3C2=O)O)O)O)CCCC(C)(C)O |
| SMILES (Isomeric) | C/C(=C\CC1=C(C=CC(=C1O)[C@H]2COC3=CC(=CC(=C3C2=O)O)O)O)/CCCC(C)(C)O |
| InChI | InChI=1S/C25H30O7/c1-14(5-4-10-25(2,3)31)6-7-17-19(27)9-8-16(23(17)29)18-13-32-21-12-15(26)11-20(28)22(21)24(18)30/h6,8-9,11-12,18,26-29,31H,4-5,7,10,13H2,1-3H3/b14-6+/t18-/m1/s1 |
| InChI Key | MFAXFSSSKGTNQR-KRPRSCCNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O7 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (3S)-3-[2,4-dihydroxy-3-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7ad65900-85b6-11ee-b2f4-b9815e2a9d72.jpg "2D Structure of (3S)-3-[2,4-dihydroxy-3-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]-5,7-dihydroxy-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 | 99.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.32% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.63% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.66% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.54% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.23% | 94.73% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.21% | 96.12% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.26% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.22% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.39% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.40% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.95% | 92.51% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.63% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.50% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.25% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.76% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.05% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.74% | 92.68% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.10% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.85% | 97.25% |
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 | 163195035 |
| LOTUS | LTS0190437 |
| wikiData | Q105162529 |