(1S,3aR,4S,8bR)-1-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol
| Internal ID | 3d15e678-b0c5-471e-9e8e-dd72d86711a2 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (1S,3aR,4S,8bR)-1-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C3COC(C3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C=C5)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3C4=C2C(=CC(=C4)O)O)C5=CC(=C(C=C5)O)O |
| InChI | InChI=1S/C25H24O8/c1-31-19-6-12(7-20(32-2)24(19)30)21-15-10-33-25(11-3-4-16(27)17(28)5-11)22(15)14-8-13(26)9-18(29)23(14)21/h3-9,15,21-22,25-30H,10H2,1-2H3/t15-,21-,22+,25-/m1/s1 |
| InChI Key | WVOKVBOSAJHZDQ-WKPOASHTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (1S,3aR,4S,8bR)-1-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6e92f030-84ce-11ee-b8aa-1f557970adfb.jpg "2D Structure of (1S,3aR,4S,8bR)-1-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-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 | 99.61% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.93% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.61% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.54% | 91.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.14% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.58% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.69% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.15% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.45% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.39% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.75% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.70% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.79% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.13% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.32% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.08% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 80.20% | 90.71% |
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.
| Maackia amurensis |
| PubChem | 163013872 |
| LOTUS | LTS0175053 |
| wikiData | Q105313647 |