13,15,18-Trihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1,4,6,9,12,15,19-heptaene-3,11-dione
| Internal ID | 1ae9ec2f-0ced-48a8-a78a-4e9a19fe3fd8 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids |
| IUPAC Name | 13,15,18-trihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1,4,6,9,12,15,19-heptaene-3,11-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H16O7/c1-7-13-18-16(22(28)14(8(2)23)21(13)27)10(25)6-12-17(18)19(20(7)26)15-9(24)4-3-5-11(15)29-12/h3-7,20,23,26-28H,1-2H3 |
| InChI Key | CPCSDKBGBORODJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H16O7 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 13,15,18-Trihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1,4,6,9,12,15,19-heptaene-3,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/aef69af0-86fb-11ee-b204-592b1bf40704.jpg "2D Structure of 13,15,18-Trihydroxy-14-(1-hydroxyethylidene)-17-methyl-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1,4,6,9,12,15,19-heptaene-3,11-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.69% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.93% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.09% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.03% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.75% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.34% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.39% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.23% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.37% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.15% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.70% | 99.15% |
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 | 162931691 |
| LOTUS | LTS0119077 |
| wikiData | Q103817918 |