16-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
| Internal ID | e89f49d6-7695-4a5a-9b61-9fdc40eee50b |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 16-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H22O12/c25-6-12(27)22-20(31)21(32)24(36-22)34-7-3-9-14(11(26)4-7)18(29)16-10(17(9)28)5-13-15(19(16)30)8-1-2-33-23(8)35-13/h3-5,8,12,20-27,30-32H,1-2,6H2 |
| InChI Key | OLFHZTHTAYTUJX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O12 |
| Molecular Weight | 502.40 g/mol |
| Exact Mass | 502.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 16-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/10f2f210-8617-11ee-84b7-3fde8df1b328.jpg "2D Structure of 16-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-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 | 99.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.31% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.29% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.26% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.12% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.71% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.99% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.81% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.26% | 96.21% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.60% | 92.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.02% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.65% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.25% | 95.89% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 85.24% | 96.11% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.39% | 93.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.19% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.18% | 99.17% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.13% | 82.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.64% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.57% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.17% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.03% | 97.36% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.60% | 92.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.90% | 95.83% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.28% | 97.33% |
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 | 162968444 |
| LOTUS | LTS0200950 |
| wikiData | Q104193479 |