(1R,13R,15R)-3,5,15-trihydroxy-15-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enoyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2(7),3,5-trien-9-one
| Internal ID | aaee2cbd-3a49-4dc9-ade9-79c0d724249d |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (1R,13R,15R)-3,5,15-trihydroxy-15-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enoyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2(7),3,5-trien-9-one |
| SMILES (Canonical) | C1CC2CC(CC(O2)(C=CC3=CC=CC=C3)O)C4=C(C=C(C(=C4O)C(=O)C=CC5=CC=CC=C5)O)OC(=O)C1 |
| SMILES (Isomeric) | C1C[C@@H]2C[C@H](C[C@@](O2)(/C=C/C3=CC=CC=C3)O)C4=C(C=C(C(=C4O)C(=O)/C=C/C5=CC=CC=C5)O)OC(=O)C1 |
| InChI | InChI=1S/C32H30O7/c33-25(15-14-21-8-3-1-4-9-21)30-26(34)19-27-29(31(30)36)23-18-24(12-7-13-28(35)38-27)39-32(37,20-23)17-16-22-10-5-2-6-11-22/h1-6,8-11,14-17,19,23-24,34,36-37H,7,12-13,18,20H2/b15-14+,17-16+/t23-,24-,32+/m1/s1 |
| InChI Key | GHCSEVTXYYGHAC-JLGPYDEYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H30O7 |
| Molecular Weight | 526.60 g/mol |
| Exact Mass | 526.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (1R,13R,15R)-3,5,15-trihydroxy-15-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enoyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2(7),3,5-trien-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/28e97e40-8598-11ee-8e86-13946e04537a.jpg "2D Structure of (1R,13R,15R)-3,5,15-trihydroxy-15-[(E)-2-phenylethenyl]-4-[(E)-3-phenylprop-2-enoyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2(7),3,5-trien-9-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 | 99.61% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.46% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.13% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.66% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.60% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.42% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.46% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.78% | 91.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.73% | 94.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.34% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.27% | 92.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.48% | 83.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.23% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.01% | 93.99% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.83% | 89.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.51% | 95.50% |
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.
| Cryptocarya obovata |
| PubChem | 21578952 |
| LOTUS | LTS0165648 |
| wikiData | Q105008450 |