(1S,2S,3R,7R,11R,14R,15R,16R,20S)-11-phenyl-15-[(E)-3-phenylprop-2-enoyl]-4,12,19-trioxahexacyclo[13.6.1.02,14.03,7.08,13.016,20]docos-8(13)-ene-5,9,18,22-tetrone
| Internal ID | a011cd67-740e-493a-8222-cc7864b2fb1f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | (1S,2S,3R,7R,11R,14R,15R,16R,20S)-11-phenyl-15-[(E)-3-phenylprop-2-enoyl]-4,12,19-trioxahexacyclo[13.6.1.02,14.03,7.08,13.016,20]docos-8(13)-ene-5,9,18,22-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H28O8/c35-22-16-23(18-9-5-2-6-10-18)41-32-28(22)19-14-26(37)42-31(19)29-20-13-24-21(15-27(38)40-24)34(30(29)32,33(20)39)25(36)12-11-17-7-3-1-4-8-17/h1-12,19-21,23-24,29-31H,13-16H2/b12-11+/t19-,20+,21+,23-,24+,29-,30+,31+,34+/m1/s1 |
| InChI Key | YGCDQSYKYWKEBZ-MBVNDGHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H28O8 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1S,2S,3R,7R,11R,14R,15R,16R,20S)-11-phenyl-15-[(E)-3-phenylprop-2-enoyl]-4,12,19-trioxahexacyclo[13.6.1.02,14.03,7.08,13.016,20]docos-8(13)-ene-5,9,18,22-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/4e70efc0-83e2-11ee-9051-b7596f3ebcb4.jpg "2D Structure of (1S,2S,3R,7R,11R,14R,15R,16R,20S)-11-phenyl-15-[(E)-3-phenylprop-2-enoyl]-4,12,19-trioxahexacyclo[13.6.1.02,14.03,7.08,13.016,20]docos-8(13)-ene-5,9,18,22-tetrone")
| 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 | 98.37% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.52% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.49% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.71% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.05% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.92% | 94.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.58% | 83.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.67% | 85.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.94% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.46% | 94.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.60% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.91% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 163034060 |
| LOTUS | LTS0090969 |
| wikiData | Q105347984 |