Bioactive Compound Details
| BioID | bio197614 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL439053 |
| Molecular Formula | C32H50O6 |
| Molecular Weight | 530.75 |
| Molecular Weight (Monoisotopic) | 530.3607 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2 Alpha-Acetyl Tomentic Acid |
| Smiles | CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O |
| Inchi | InChI=1S/C32H50O6/c1-18-11-14-32(26(35)36)16-15-29(6)20(24(32)31(18,8)37)9-10-23-28(5)17-21(38-19(2)33)25(34)27(3,4)22(28)12-13-30(23,29)7/h9,18,21-25,34,37H,10-17H2,1-8H3,(H,35,36)/t18-,21-,22+,23-,24-,25+,28+,29-,30-,31-,32+/m1/s1 |
| Inchi Key | HHDNTTOUNUERTJ-BGJCYSRJSA-N |
| Molecular Species | ACID |
| Targets | 10.0 |
| Bioactivities | 13.0 |
| Np Likeness Score | 3.32 |
| Records Key | ['3', '10'] |
| Records Name | ['2 alpha-acetyl tomentic acid', '(2R,3R,19R)-2-acetyloxy-3,19-dihydroxyurs-12-en-28-carboxylic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
