| BioID | bio199177 |
|---|
| Name | IRCININ 2 |
|---|
| ChEMBL ID | CHEMBL483842 |
|---|
| Molecular Formula | C25H30O5 |
|---|
| Molecular Weight | 410.51 |
|---|
| Molecular Weight (Monoisotopic) | 410.2093 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | Ircinin 2 |
|---|
| Smiles | CC1=C(O)/C(=C/[C@H](C)CC/C=C(/C)CCCc2coc(Cc3ccoc3)c2)OC1=O |
|---|
| Inchi | InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h6,10-13,15-16,18,26H,4-5,7-9,14H2,1-3H3/b17-6-,23-12-/t18-/m1/s1 |
|---|
| Inchi Key | YIWFEASCLZQHBJ-MGPQNOLOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | 2.48 |
|---|
| Records Key | ['Ircinin-2', '5', '6', '2'] |
|---|
| Records Name | ['Ircinin-2', 'Ircinin 2', 'Ircinin-2', '(13Z,18R,20Z)-Ircinin-2'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
