(1S,5S,17R,19R)-9,19-dihydroxy-5-phenyl-19-[(E)-2-phenylethenyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2(11),3(8),9-triene-7,13-dione
| Internal ID | 02077af3-9488-4b27-b873-6e0ed44ffb04 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (1S,5S,17R,19R)-9,19-dihydroxy-5-phenyl-19-[(E)-2-phenylethenyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2(11),3(8),9-triene-7,13-dione |
| SMILES (Canonical) | C1CC2CC(CC(O2)(C=CC3=CC=CC=C3)O)C4=C(C=C(C5=C4OC(CC5=O)C6=CC=CC=C6)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(C5=C4O[C@@H](CC5=O)C6=CC=CC=C6)O)OC(=O)C1 |
| InChI | InChI=1S/C32H30O7/c33-24-17-26(21-10-5-2-6-11-21)38-31-29-22-16-23(12-7-13-28(35)37-27(29)18-25(34)30(24)31)39-32(36,19-22)15-14-20-8-3-1-4-9-20/h1-6,8-11,14-15,18,22-23,26,34,36H,7,12-13,16-17,19H2/b15-14+/t22-,23+,26-,32-/m0/s1 |
| InChI Key | OBHPJLGLCYCFQD-SWFVWCFMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H30O7 |
| Molecular Weight | 526.60 g/mol |
| Exact Mass | 526.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (1S,5S,17R,19R)-9,19-dihydroxy-5-phenyl-19-[(E)-2-phenylethenyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2(11),3(8),9-triene-7,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e50cb070-8639-11ee-8b40-47a49c42094b.jpg "2D Structure of (1S,5S,17R,19R)-9,19-dihydroxy-5-phenyl-19-[(E)-2-phenylethenyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2(11),3(8),9-triene-7,13-dione")
| 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 | 99.37% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.68% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.64% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.08% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.86% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.48% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.36% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.07% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.22% | 92.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.19% | 83.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.59% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.70% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.04% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.17% | 85.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.28% | 97.05% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.74% | 94.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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 kurzii |
| PubChem | 163099607 |
| LOTUS | LTS0189806 |
| wikiData | Q105189012 |