(4S,8R)-2,15,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
| Internal ID | e2cf4101-4a30-4516-9c75-7a912e901681 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (4S,8R)-2,15,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione |
| SMILES (Canonical) | C1COC2C1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O |
| SMILES (Isomeric) | C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)O |
| InChI | InChI=1S/C18H12O7/c19-8-1-2-9(20)14-13(8)15(21)7-5-10-11(16(22)12(7)17(14)23)6-3-4-24-18(6)25-10/h1-2,5-6,18-20,22H,3-4H2/t6-,18+/m0/s1 |
| InChI Key | SPZHKAWKPSXJSF-AHGSNSTDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H12O7 |
| Molecular Weight | 340.30 g/mol |
| Exact Mass | 340.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (4S,8R)-2,15,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a88a9250-8663-11ee-97f8-1b1a562ada96.jpg "2D Structure of (4S,8R)-2,15,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaene-13,20-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 | 99.09% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.29% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.56% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.45% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.43% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.93% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.32% | 99.15% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.42% | 83.10% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.12% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.92% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.63% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.01% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.25% | 100.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.91% | 82.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.87% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.84% | 92.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.77% | 93.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.89% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.47% | 90.00% |
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 | 163039129 |
| LOTUS | LTS0100207 |
| wikiData | Q105257694 |