5-[(2R,3S)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-4,7-dimethoxy-1,3-benzodioxole
| Internal ID | b486af3c-071e-46de-817e-a30272cd2532 |
| Taxonomy | Lignans, neolignans and related compounds > Cyclobutane lignans |
| IUPAC Name | 5-[(2R,3S)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-4,7-dimethoxy-1,3-benzodioxole |
| SMILES (Canonical) | CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C4C(=C3OC)OCO4)OC)C |
| SMILES (Isomeric) | C[C@H]1[C@H](C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C4C(=C3OC)OCO4)OC)C |
| InChI | InChI=1S/C24H30O7/c1-12-13(2)21(15-9-19(28-6)23-24(22(15)29-7)31-11-30-23)20(12)14-8-17(26-4)18(27-5)10-16(14)25-3/h8-10,12-13,20-21H,11H2,1-7H3/t12-,13+,20?,21?/m0/s1 |
| InChI Key | JBJQHNMYAWPHMI-BUTIDPASSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O7 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 5-[(2R,3S)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-4,7-dimethoxy-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-2r3s-23-dimethyl-4-245-trimethoxyphenylcyclobutyl-47-dimethoxy-13-benzodioxole.jpg "2D Structure of 5-[(2R,3S)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-4,7-dimethoxy-1,3-benzodioxole")
| 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 | 94.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.58% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.70% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.51% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.21% | 82.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.12% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.99% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.22% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.51% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.46% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.35% | 86.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.26% | 96.09% |
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.
| Mosla scabra |
| PubChem | 5319903 |
| LOTUS | LTS0096594 |
| wikiData | Q105124380 |