(9S,11R)-3,18-dihydroxy-10-oxatetracyclo[13.3.1.12,6.09,11]icosa-1(18),2,4,6(20),15(19),16-hexaen-12-one
| Internal ID | 5b972a1e-7b67-4795-a54c-f43fb12c742f |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (9S,11R)-3,18-dihydroxy-10-oxatetracyclo[13.3.1.12,6.09,11]icosa-1(18),2,4,6(20),15(19),16-hexaen-12-one |
| SMILES (Canonical) | C1CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CCC(=O)C4C1O4)O |
| SMILES (Isomeric) | C1CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CCC(=O)[C@H]4[C@H]1O4)O |
| InChI | InChI=1S/C19H18O4/c20-15-5-1-11-3-7-17(22)19-18(23-19)8-4-12-2-6-16(21)14(10-12)13(15)9-11/h1-2,5-6,9-10,18-21H,3-4,7-8H2/t18-,19-/m0/s1 |
| InChI Key | GETDCXFOMCXXNN-OALUTQOASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (9S,11R)-3,18-dihydroxy-10-oxatetracyclo[13.3.1.12,6.09,11]icosa-1(18),2,4,6(20),15(19),16-hexaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/f26b6390-83bd-11ee-acfd-d7421de1ff4e.jpg "2D Structure of (9S,11R)-3,18-dihydroxy-10-oxatetracyclo[13.3.1.12,6.09,11]icosa-1(18),2,4,6(20),15(19),16-hexaen-12-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 | 98.57% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.43% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.25% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.00% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.34% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.90% | 98.95% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.35% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.63% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.53% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.60% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.11% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.91% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.27% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.74% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.61% | 86.33% |
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.
| Alnus japonica |
| PubChem | 163029386 |
| LOTUS | LTS0263001 |
| wikiData | Q105007320 |