threo-Guaiacylglycerol-beta-coniferyl aldehyde ether
| Internal ID | a121d447-fb9f-4de3-9f83-17bbde5640dc |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (E)-3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enal |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC=O)OC(CO)C(C2=CC(=C(C=C2)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C=O)O[C@@H](CO)[C@@H](C2=CC(=C(C=C2)O)OC)O |
| InChI | InChI=1S/C20H22O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-11,19-20,22-24H,12H2,1-2H3/b4-3+/t19-,20+/m0/s1 |
| InChI Key | LWLOALZBDOVWAE-YIYNPQHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 1.60 |
| AKOS040734587 |
| 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 | 98.21% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.52% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.39% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.34% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.03% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.70% | 89.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.69% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.08% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.09% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.10% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.20% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 86.02% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.78% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.24% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.24% | 90.24% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.66% | 86.92% |
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.
| Anastatica hierochuntica |
| Eucommia ulmoides |
| Lonicera morrowii |
| Mallotus nudiflorus |
| Torreya fargesii var. yunnanensis |
| Zanthoxylum simulans |
| PubChem | 21582570 |
| LOTUS | LTS0219165 |
| wikiData | Q105158386 |