Bioactive Compound Details
| BioID | bio200349 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1080966 |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.71 |
| Molecular Weight (Monoisotopic) | 456.3603 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Isoursolic Acid |
| Smiles | C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)CC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@@H]1C |
| Inchi | InChI=1S/C30H48O3/c1-18-10-13-30(25(32)33)15-14-28(6)21(24(30)19(18)2)8-9-23-27(5)17-20(31)16-26(3,4)22(27)11-12-29(23,28)7/h8,18-20,22-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19-,20+,22-,23+,24-,27-,28+,29+,30-/m0/s1 |
| Inchi Key | DDHYEJNMSYDDTH-JJKIWFBPSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.19 |
| Records Key | ['4'] |
| Records Name | ['2-isoursolic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
