3-(1,3-Benzodioxol-5-yl)-1-[3-[1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]propan-1-one
| Internal ID | 47553565-97f4-4300-8d59-d6edcf552324 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-1-[3-[1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]propan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H34O8/c1-19(15-21-3-9-24(35)10-4-21)20(2)31(23-7-11-25(36)12-8-23)33-28(39)17-27(38)32(34(33)40)26(37)13-5-22-6-14-29-30(16-22)42-18-41-29/h3-4,6-12,14,16-17,19-20,31,35-36,38-40H,5,13,15,18H2,1-2H3 |
| InChI Key | FAGZEPREVXXJOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H34O8 |
| Molecular Weight | 570.60 g/mol |
| Exact Mass | 570.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 3-(1,3-Benzodioxol-5-yl)-1-[3-[1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/c39a85d0-85fa-11ee-883d-071900141b1d.jpg "2D Structure of 3-(1,3-Benzodioxol-5-yl)-1-[3-[1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]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 | 98.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.18% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.84% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.32% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.89% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.94% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.11% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.87% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.80% | 94.73% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 87.64% | 93.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.88% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.65% | 90.24% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.98% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.19% | 89.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.45% | 95.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.41% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.44% | 91.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.59% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.48% | 95.56% |
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 | 162979405 |
| LOTUS | LTS0225831 |
| wikiData | Q104992258 |