Bioactive Compound Details
| BioID | bio198307 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1631830 |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.77 |
| Molecular Weight (Monoisotopic) | 484.3916 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3-Spiro[1',2']Dioxolanerythrodiol |
| Smiles | CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC6(OCCO6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Inchi | InChI=1S/C32H52O3/c1-26(2)12-15-31(21-33)16-14-29(6)22(23(31)20-26)8-9-25-28(5)13-17-32(34-18-19-35-32)27(3,4)24(28)10-11-30(25,29)7/h8,23-25,33H,9-21H2,1-7H3/t23-,24-,25+,28-,29+,30+,31+/m0/s1 |
| Inchi Key | HYNFKTUDDHJQPA-IBVBGOLWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.85 |
| Records Key | ['20'] |
| Records Name | [3-Spiro[1',2']dioxolanerythrodiol"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
