Gnetal
| Internal ID | 3f15bd7d-5ff2-4db9-91cd-18c3d60a0a8d |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-carbaldehyde |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C3=C(C=C(C=C3O2)C=O)O)C4=CC(=CC(=C4)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1[C@@H]2[C@H](C3=C(C=C(C=C3O2)C=O)O)C4=CC(=CC(=C4)O)O)O |
| InChI | InChI=1S/C21H16O6/c22-10-11-5-17(26)20-18(6-11)27-21(12-1-3-14(23)4-2-12)19(20)13-7-15(24)9-16(25)8-13/h1-10,19,21,23-26H/t19-,21+/m0/s1 |
| InChI Key | OQPLDSDBGSRXSC-PZJWPPBQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.00 |
| (2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-carbaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.72% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.66% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.78% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 91.07% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.01% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.97% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.93% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.84% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.78% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.90% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.43% | 96.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.02% | 98.11% |
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.
| Gnetum gnemonoides |
| PubChem | 10959436 |
| LOTUS | LTS0059925 |
| wikiData | Q105197075 |