Bioactive Compound Details
| BioID | bio199830 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2035910 |
| Molecular Formula | C31H48O3 |
| Molecular Weight | 468.72 |
| Molecular Weight (Monoisotopic) | 468.3603 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Hydroxymethylene-Allobetulone |
| Smiles | CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 |
| Inchi | InChI=1S/C31H48O3/c1-26(2)12-14-31-15-13-29(6)20(23(31)25(26)34-18-31)8-9-22-28(5)16-19(17-32)24(33)27(3,4)21(28)10-11-30(22,29)7/h17,20-23,25,32H,8-16,18H2,1-7H3/b19-17-/t20-,21+,22-,23+,25-,28+,29-,30-,31-/m1/s1 |
| Inchi Key | BFERQEGXAJNKMZ-RMGAJFJZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.8 |
| Records Key | ['11'] |
| Records Name | ['2-Hydroxymethylene-allobetulone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
