| BioID | bio198473 |
|---|
| Name | 6,8,8-TRIETHYL-2-METHYL DESMOSDUMOTIN B |
|---|
| ChEMBL ID | CHEMBL502828 |
|---|
| Molecular Formula | C22H24O4 |
|---|
| Molecular Weight | 352.43 |
|---|
| Molecular Weight (Monoisotopic) | 352.1675 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CCC1=C(O)c2c(oc(-c3ccccc3C)cc2=O)C(CC)(CC)C1=O |
|---|
| Inchi | InChI=1S/C22H24O4/c1-5-14-19(24)18-16(23)12-17(15-11-9-8-10-13(15)4)26-21(18)22(6-2,7-3)20(14)25/h8-12,24H,5-7H2,1-4H3 |
|---|
| Inchi Key | IIZZOIPGGTUNCZ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 1.07 |
|---|
| Records Key | ['25', '13'] |
|---|
| Records Name | ['6,8,8-triethyl-5-hydroxy-2-o-tolyl-4H-chromene-4,7(8H)-dione', '6,8,8-Triethyl-2-methyl desmosdumotin B'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
