Daldinone E
| Internal ID | 6c0e8842-427e-47f4-a4e0-24f566643a2a |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (5S,6S,7S)-5-chloro-4,6,7,9,15-pentahydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1,3,8,10,12(20),13,15,18-octaen-17-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H13ClO6/c21-17-18(25)16-13-7-2-4-10(23)14-9(22)3-1-6(12(7)14)8(13)5-11(24)15(16)19(26)20(17)27/h1-5,17,19-20,22,24-27H/t17-,19+,20-/m1/s1 |
| InChI Key | XLURHSMMMKNSGH-YZGWKJHDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H13ClO6 |
| Molecular Weight | 384.80 g/mol |
| Exact Mass | 384.0400658 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | -0.10 |
| CHEMBL3358088 |
| 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 | 97.70% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.74% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.42% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.81% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.16% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 87.75% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.98% | 89.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.17% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.80% | 90.71% |
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 | 137007049 |
| LOTUS | LTS0100518 |
| wikiData | Q75065064 |