[(1R,2R,3S,4S)-2-(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutyl]-(2,4-dihydroxy-6-methoxyphenyl)methanone
| Internal ID | 0bab9bdc-6c9f-4ce0-9bf1-3daa01c78f8a |
| Taxonomy | Lignans, neolignans and related compounds > Cyclobutane lignans |
| IUPAC Name | [(1R,2R,3S,4S)-2-(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutyl]-(2,4-dihydroxy-6-methoxyphenyl)methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H32O10/c1-41-21-9-5-17(6-10-21)27-28(18-7-11-22(42-2)12-8-18)32(34(40)30-24(38)14-20(36)16-26(30)44-4)31(27)33(39)29-23(37)13-19(35)15-25(29)43-3/h5-16,27-28,31-32,35-38H,1-4H3/t27-,28-,31+,32+/m0/s1 |
| InChI Key | LGEMPWRJRVIUDN-DSOCELCXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H32O10 |
| Molecular Weight | 600.60 g/mol |
| Exact Mass | 600.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3S,4S)-2-(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutyl]-(2,4-dihydroxy-6-methoxyphenyl)methanone](https://plantaedb.com/storage/docs/compounds/2023/11/22542e40-85b9-11ee-a471-b9c35cf7a448.jpg "2D Structure of [(1R,2R,3S,4S)-2-(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutyl]-(2,4-dihydroxy-6-methoxyphenyl)methanone")
| 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 | 97.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.61% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.62% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.94% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.08% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.91% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.94% | 92.94% |
| CHEMBL3194 | P02766 | Transthyretin | 85.45% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.31% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.24% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.26% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.09% | 94.42% |
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.
| Goniothalamus gardneri |
| PubChem | 22297861 |
| LOTUS | LTS0122724 |
| wikiData | Q105151313 |