(3S,4R,5S)-4-(1,3-benzodioxol-5-yl)-5-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-ol
| Internal ID | 765b9830-0264-485d-84cc-3867a5e6b1c9 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (3S,4R,5S)-4-(1,3-benzodioxol-5-yl)-5-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-ol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(C2C(C(CO2)O)C3=CC4=C(C=C3)OCO4)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]([C@@H]2[C@@H]([C@@H](CO2)O)C3=CC4=C(C=C3)OCO4)O)O |
| InChI | InChI=1S/C19H20O7/c1-23-15-7-11(2-4-12(15)20)18(22)19-17(13(21)8-24-19)10-3-5-14-16(6-10)26-9-25-14/h2-7,13,17-22H,8-9H2,1H3/t13-,17-,18-,19+/m1/s1 |
| InChI Key | CPSAQPIGCSKEIP-XEKGUZQTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (3S,4R,5S)-4-(1,3-benzodioxol-5-yl)-5-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3s4r5s-4-13-benzodioxol-5-yl-5-r-hydroxy-4-hydroxy-3-methoxyphenylmethyloxolan-3-ol.jpg "2D Structure of (3S,4R,5S)-4-(1,3-benzodioxol-5-yl)-5-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.60% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.60% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.47% | 94.45% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 95.08% | 88.48% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.43% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.40% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.02% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.60% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 90.36% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.16% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.11% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.18% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.89% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.70% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.92% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.49% | 82.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.27% | 93.40% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.69% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.50% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.08% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.94% | 90.71% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.56% | 96.86% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.85% | 85.30% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.74% | 96.00% |
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.
| Nicotiana tabacum |
| PubChem | 57337813 |
| LOTUS | LTS0218840 |
| wikiData | Q104967720 |