2-Methoxy-4-[1-methoxy-2,3-bis(2-methoxy-4-prop-2-enylphenoxy)propyl]phenol
| Internal ID | 7a82a4bf-ea79-4f87-8679-bf1d9a7edb27 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 2-methoxy-4-[1-methoxy-2,3-bis(2-methoxy-4-prop-2-enylphenoxy)propyl]phenol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC=C)OCC(C(C2=CC(=C(C=C2)O)OC)OC)OC3=C(C=C(C=C3)CC=C)OC |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC=C)OCC(C(C2=CC(=C(C=C2)O)OC)OC)OC3=C(C=C(C=C3)CC=C)OC |
| InChI | InChI=1S/C31H36O7/c1-7-9-21-11-15-25(28(17-21)34-4)37-20-30(31(36-6)23-13-14-24(32)27(19-23)33-3)38-26-16-12-22(10-8-2)18-29(26)35-5/h7-8,11-19,30-32H,1-2,9-10,20H2,3-6H3 |
| InChI Key | KICKMJLVAFILTB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H36O7 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 2-Methoxy-4-[1-methoxy-2,3-bis(2-methoxy-4-prop-2-enylphenoxy)propyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/2-methoxy-4-1-methoxy-23-bis2-methoxy-4-prop-2-enylphenoxypropylphenol.jpg "2D Structure of 2-Methoxy-4-[1-methoxy-2,3-bis(2-methoxy-4-prop-2-enylphenoxy)propyl]phenol")
| 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 | 98.46% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.70% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.58% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.57% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.21% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.44% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.09% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.61% | 89.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.52% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.63% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.07% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.02% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.84% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.82% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.54% | 97.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.55% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.64% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.35% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.23% | 91.03% |
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.
| Ocimum tenuiflorum |
| PubChem | 25231262 |
| LOTUS | LTS0136154 |
| wikiData | Q105141438 |