3-[1-[3-[Bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxychromen-4-one
| Internal ID | 6dee6083-ba8d-4508-9b79-546624f8cf37 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 3-[1-[3-[bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=C(C(=C(C=C3O)O)C(=O)C(C4=COC5=CC(=CC(=C5C4=O)O)O)C(C6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=C(C(=C(C=C3O)O)C(=O)C(C4=COC5=CC(=CC(=C5C4=O)O)O)C(C6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O)O |
| InChI | InChI=1S/C43H32O12/c44-25-9-1-21(2-10-25)35(22-3-11-26(45)12-4-22)37(30-20-55-34-18-29(48)17-31(49)38(34)41(30)52)42(53)40-33(51)19-32(50)39(43(40)54)36(23-5-13-27(46)14-6-23)24-7-15-28(47)16-8-24/h1-20,35-37,44-51,54H |
| InChI Key | XIDMJBCJTDXWTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H32O12 |
| Molecular Weight | 740.70 g/mol |
| Exact Mass | 740.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of 3-[1-[3-[Bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/cbf45220-8574-11ee-990f-fd0b30821069.jpg "2D Structure of 3-[1-[3-[Bis(4-hydroxyphenyl)methyl]-2,4,6-trihydroxyphenyl]-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl]-5,7-dihydroxychromen-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.52% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.82% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.30% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 90.07% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.86% | 94.45% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 88.00% | 83.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.98% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.74% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.51% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.43% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.27% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.80% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.59% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.32% | 85.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.30% | 93.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.90% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.12% | 95.64% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 81.35% | 97.90% |
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.
| Stellera chamaejasme |
| PubChem | 100959310 |
| LOTUS | LTS0074247 |
| wikiData | Q105328424 |