| BioID | bio199444 |
|---|
| Name | 3BETA-O-(2-METHYLBUTYRYL)MOROCCOLIDE A |
|---|
| ChEMBL ID | CHEMBL518210 |
|---|
| Molecular Formula | C20H26O5 |
|---|
| Molecular Weight | 346.42 |
|---|
| Molecular Weight (Monoisotopic) | 346.178 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3beta-O-(2-methylbutyryl)moroccolide A |
|---|
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1[C@H]3O[C@](C)([C@H]3OC(=O)C(C)CC)[C@@H]12 |
|---|
| Inchi | InChI=1S/C20H26O5/c1-6-9(2)18(21)24-17-16-13-10(3)7-8-12-11(4)19(22)23-15(12)14(13)20(17,5)25-16/h9,12,14-17H,4,6-8H2,1-3,5H3/t9?,12-,14-,15+,16+,17-,20-/m0/s1 |
|---|
| Inchi Key | FPLUWNGZVAMKNR-BTAUDAJJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 3.11 |
|---|
| Records Key | ['1, 3beta-O-(2-methylbutyryl)moroccolide A'] |
|---|
| Records Name | ['5alphaH-2beta,4-Epoxy-3beta-(2-methylbutyryloxy)guaia-1(10),11(13)-dien-6beta,12-olide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
