(3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 994596d8-42e2-446e-b4ff-751de4693366 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H38O5/c1-19(2)7-6-8-21(5)10-16-25-26(15-9-20(3)4)31-27(30(35)29(25)34)28(33)23(18-36-31)17-22-11-13-24(32)14-12-22/h7,9-14,23,32,34-35H,6,8,15-18H2,1-5H3/b21-10+/t23-/m1/s1 |
| InChI Key | SKJPIPUYKGSVAM-OVBPWOOMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H38O5 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of (3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/567ad5d0-8697-11ee-aded-2f4f19d356fe.jpg "2D Structure of (3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-8-(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 | 98.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.29% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 97.11% | 93.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.18% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.00% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.83% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.29% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.24% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.21% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.75% | 89.00% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 84.21% | 91.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.90% | 97.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.37% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.96% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.70% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.41% | 83.57% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.14% | 90.93% |
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.
| Ledebouria floribunda |
| PubChem | 163195469 |
| LOTUS | LTS0170253 |
| wikiData | Q105254869 |