3-[2-hydroxy-5-[(1S)-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one
| Internal ID | d478dc99-dbe7-4433-85a3-2830f01e0723 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 3-[2-hydroxy-5-[(1S)-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one |
| SMILES (Canonical) | COC1=CC(=C(C=C1)CCC(C2=CC=C(C=C2)O)C3=C(C=C(C(=C3)CCC(=O)C4=CC=C(C=C4)O)O)OC)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)CC[C@@H](C2=CC=C(C=C2)O)C3=C(C=C(C(=C3)CCC(=O)C4=CC=C(C=C4)O)O)OC)O |
| InChI | InChI=1S/C32H32O7/c1-38-26-14-7-22(30(36)18-26)8-15-27(20-3-10-24(33)11-4-20)28-17-23(31(37)19-32(28)39-2)9-16-29(35)21-5-12-25(34)13-6-21/h3-7,10-14,17-19,27,33-34,36-37H,8-9,15-16H2,1-2H3/t27-/m0/s1 |
| InChI Key | HZJPAKJGVGOXRN-MHZLTWQESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H32O7 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3-[2-hydroxy-5-[(1S)-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/663e42f0-8185-11ee-8edf-d1f17fc0f055.jpg "2D Structure of 3-[2-hydroxy-5-[(1S)-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl]-1-(4-hydroxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.98% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.61% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.75% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.61% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.89% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.44% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.43% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.41% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.07% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.72% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.92% | 93.31% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.94% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.92% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.41% | 95.50% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.17% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.36% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.30% | 85.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.66% | 93.18% |
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.
| Dracaena cinnabari |
| PubChem | 162950358 |
| LOTUS | LTS0100063 |
| wikiData | Q105035706 |