(3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-4-(4-methoxyphenyl)oxolan-3-ol
| Internal ID | 6eb188f1-6444-4106-b9a0-18c8a3e7e2d2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-4-(4-methoxyphenyl)oxolan-3-ol |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2C(COC2C(C3=CC(=C(C=C3)OC)OC)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)[C@@H]2[C@@H](CO[C@@H]2[C@@H](C3=CC(=C(C=C3)OC)OC)O)O |
| InChI | InChI=1S/C20H24O6/c1-23-14-7-4-12(5-8-14)18-15(21)11-26-20(18)19(22)13-6-9-16(24-2)17(10-13)25-3/h4-10,15,18-22H,11H2,1-3H3/t15-,18-,19-,20+/m1/s1 |
| InChI Key | VOBMPBLQBUANQN-XLNTUCKNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-4-(4-methoxyphenyl)oxolan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3s4r5s-5-r-34-dimethoxyphenyl-hydroxymethyl-4-4-methoxyphenyloxolan-3-ol.jpg "2D Structure of (3S,4R,5S)-5-[(R)-(3,4-dimethoxyphenyl)-hydroxymethyl]-4-(4-methoxyphenyl)oxolan-3-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.07% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.64% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.17% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.02% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.93% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.72% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.03% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.70% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.57% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.45% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.19% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.63% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.30% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.69% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.77% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.58% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.07% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.06% | 97.14% |
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.
| Metasequoia glyptostroboides |
| PubChem | 51040474 |
| LOTUS | LTS0134405 |
| wikiData | Q105290085 |