21-Hydroperoxy-8-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-dien-14-one
| Internal ID | c3f4f56b-d15a-4e86-920e-273d00c66d8b |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 21-hydroperoxy-8-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-dien-14-one |
| SMILES (Canonical) | CC12CCC(CC1=CCC3C2CC=C4C5C(COC5(OC4OO)C)OC3=O)O |
| SMILES (Isomeric) | CC12CCC(CC1=CCC3C2CC=C4C5C(COC5(OC4OO)C)OC3=O)O |
| InChI | InChI=1S/C21H28O7/c1-20-8-7-12(22)9-11(20)3-4-13-15(20)6-5-14-17-16(26-18(13)23)10-25-21(17,2)27-19(14)28-24/h3,5,12-13,15-17,19,22,24H,4,6-10H2,1-2H3 |
| InChI Key | RUHYVNDSXWCFOW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O7 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 21-Hydroperoxy-8-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-dien-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/9ccac800-870c-11ee-8399-67a265a1d416.jpg "2D Structure of 21-Hydroperoxy-8-hydroxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1,10-dien-14-one")
| 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 | 97.61% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.76% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.91% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.93% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.61% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.05% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.64% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.97% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.50% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.45% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.33% | 85.30% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.19% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.92% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.99% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.33% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.21% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.43% | 96.43% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.40% | 95.71% |
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.
| Vincetoxicum stauntonii |
| PubChem | 72953614 |
| LOTUS | LTS0134787 |
| wikiData | Q105245628 |