(4R)-4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid
| Internal ID | 59d0d0d3-e462-4126-9e60-434b5d3dbb9d |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | (4R)-4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid |
| SMILES (Canonical) | C1C2=C3C(=C4C=CC(=C5C4=C2C=CC5=O)O)C=CC(=C3OC1(C(=O)O)O)O |
| SMILES (Isomeric) | C1C2=C3C(=C4C=CC(=C5C4=C2C=CC5=O)O)C=CC(=C3O[C@]1(C(=O)O)O)O |
| InChI | InChI=1S/C20H12O7/c21-12-4-1-8-9-3-6-14(23)18-16(9)11(7-20(26,27-18)19(24)25)10-2-5-13(22)17(12)15(8)10/h1-6,21,23,26H,7H2,(H,24,25)/t20-/m1/s1 |
| InChI Key | XVJPOZBUOYPLTL-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H12O7 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (4R)-4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d545f3e0-8520-11ee-bd1a-0dc7f5c68198.jpg "2D Structure of (4R)-4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid")
| 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 | 99.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.82% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.43% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.83% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.45% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.23% | 85.30% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.53% | 90.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.36% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.52% | 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.
| Sonneratia alba |
| PubChem | 162929389 |
| LOTUS | LTS0201789 |
| wikiData | Q105342931 |