| BioID | bio198998 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL401283 |
|---|
| Molecular Formula | C16H16O4 |
|---|
| Molecular Weight | 272.3 |
|---|
| Molecular Weight (Monoisotopic) | 272.1049 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-O-Methylisohemigossylic Acid Lactone |
|---|
| Smiles | COc1c(C)cc2c(C(C)C)cc(O)c3c2c1OC3=O |
|---|
| Inchi | InChI=1S/C16H16O4/c1-7(2)9-6-11(17)13-12-10(9)5-8(3)14(19-4)15(12)20-16(13)18/h5-7,17H,1-4H3 |
|---|
| Inchi Key | BTSBSVVWGQHNFB-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 1.53 |
|---|
| Records Key | ['3', '7'] |
|---|
| Records Name | ['2,7-dimethoxy-5-isopropyl-3-methyl-8,1-naphthalene carbolactone', '2-O-methylisohemigossylic acid lactone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
