Bioactive Compound Details
| BioID | bio198761 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL391534 |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.71 |
| Molecular Weight (Monoisotopic) | 472.3553 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Epi-Corosolic Acid |
| Smiles | C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Inchi | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| Inchi Key | HFGSQOYIOKBQOW-XOYVNYDSSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 3.26 |
| Records Key | ['3', '14, 2-epicorosolic acid', 'A062', '2'] |
| Records Name | ['2-epi-corosolic acid', '2beta,3beta-Dihydroxyurs-12-en-28-oic Acid', '(1S,2R,4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid', '2-epi-corosolic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
