4-[[3-(Dimethoxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
| Internal ID | 164c202f-9f6b-4c2c-8673-878c56d2f83a |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 4-[[3-(dimethoxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one |
| SMILES (Canonical) | COC(C1=C(C(=C(C=C1)C2=CC=C(C=C2)O)C(=C3C=CC(=O)C=C3)C4=CC=C(C=C4)O)C#CC5=CC=C(C=C5)O)OC |
| SMILES (Isomeric) | COC(C1=C(C(=C(C=C1)C2=CC=C(C=C2)O)C(=C3C=CC(=O)C=C3)C4=CC=C(C=C4)O)C#CC5=CC=C(C=C5)O)OC |
| InChI | InChI=1S/C36H28O6/c1-41-36(42-2)33-22-21-31(24-6-14-28(38)15-7-24)35(32(33)20-5-23-3-12-27(37)13-4-23)34(25-8-16-29(39)17-9-25)26-10-18-30(40)19-11-26/h3-4,6-19,21-22,36-39H,1-2H3 |
| InChI Key | BDQPAQBFBAAPIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H28O6 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 4-[[3-(Dimethoxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/c01eb3e0-875a-11ee-b080-ff320e0d2e31.jpg "2D Structure of 4-[[3-(Dimethoxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.97% | 98.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.37% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.90% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.41% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.24% | 91.11% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.50% | 93.10% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.76% | 94.00% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 85.96% | 96.74% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.36% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.87% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 82.24% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.86% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.53% | 95.56% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.52% | 92.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.18% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.76% | 86.92% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.56% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.49% | 95.89% |
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.
| Selaginella pulvinata |
| PubChem | 162872688 |
| LOTUS | LTS0029859 |
| wikiData | Q104924616 |