(2S,4R)-4-[2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
| Internal ID | 72a61932-c03c-4b48-a9fb-147da61ee00d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | (2S,4R)-4-[2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde |
| SMILES (Canonical) | COC1=C(C(=C(C(=C1)O)C2CC(OC3=C(C(=CC(=C23)O)O)C=O)C4=CC=CC=C4)O)C(=O)C=CC5=CC=CC=C5 |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)[C@H]2C[C@H](OC3=C(C(=CC(=C23)O)O)C=O)C4=CC=CC=C4)O)C(=O)C=CC5=CC=CC=C5 |
| InChI | InChI=1S/C32H26O8/c1-39-27-16-25(37)28(31(38)30(27)22(34)13-12-18-8-4-2-5-9-18)20-14-26(19-10-6-3-7-11-19)40-32-21(17-33)23(35)15-24(36)29(20)32/h2-13,15-17,20,26,35-38H,14H2,1H3/t20-,26+/m1/s1 |
| InChI Key | OACOFTWOXMNEJW-IBVKSMDESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H26O8 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2S,4R)-4-[2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/7ae673a0-867f-11ee-8ef5-ff96ba24bc05.jpg "2D Structure of (2S,4R)-4-[2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-chromene-8-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.62% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.57% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.41% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.44% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.49% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.64% | 95.50% |
| CHEMBL3194 | P02766 | Transthyretin | 88.91% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.16% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.11% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.22% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.26% | 97.14% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.84% | 98.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.34% | 91.19% |
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.
| Desmos cochinchinensis |
| PubChem | 162971653 |
| LOTUS | LTS0223736 |
| wikiData | Q105188607 |