1-[3-[(1R,2R,3S)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-3-(4-methoxyphenyl)propan-1-one
| Internal ID | 08c14c2e-9603-4b8f-ae23-7b655a335d14 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 1-[3-[(1R,2R,3S)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-3-(4-methoxyphenyl)propan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H36O7/c1-20(18-23-4-11-25(35)12-5-23)21(2)31(24-9-13-26(36)14-10-24)33-30(39)19-29(38)32(34(33)40)28(37)17-8-22-6-15-27(41-3)16-7-22/h4-7,9-16,19-21,31,35-36,38-40H,8,17-18H2,1-3H3/t20-,21+,31+/m0/s1 |
| InChI Key | REHJYVNNHMTESF-XYTRMVCOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H36O7 |
| Molecular Weight | 556.60 g/mol |
| Exact Mass | 556.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 1-[3-[(1R,2R,3S)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-3-(4-methoxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/fe5b80d0-85a6-11ee-a733-e9708c41f708.jpg "2D Structure of 1-[3-[(1R,2R,3S)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-3-(4-methoxyphenyl)propan-1-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 | 98.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.62% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.16% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.90% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.55% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.05% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.59% | 91.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.07% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.65% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.51% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.50% | 90.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.47% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.88% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.31% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.42% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.37% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.88% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.69% | 96.95% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.37% | 95.34% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.00% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.31% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.25% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.90% | 94.97% |
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.
| Iryanthera grandis |
| PubChem | 101919841 |
| LOTUS | LTS0085375 |
| wikiData | Q105234865 |