Lupulone C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL481840 | |
| PubChem: | 11212586 | |
| IUPAC: | 4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbutanoyl)-5,5-bis(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-6-one | |
| Standard InChI: | InChI=1S/C26H38O5/c1-15(2)9-11-26(12-10-16(3)4)23(28)18-14-20(25(7,8)30)31-22(18)21(24(26)29)19(27)13-17(5)6/h9-10,17,20,29-30H,11-14H2,1-8H3 | |
| Standard InChI Key: | HWYZDQMASKCQDN-UHFFFAOYSA-N | |
| SMILES: | CC(CC(=O)C1=C(O)C(C(=O)C2=C1OC(C2)C(O)(C)C)(CC=C(C)C)CC=C(C)C)C | |
Molecular propeties
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| AlogP: | 5.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 430.27 | |
| Topological polar surface area: | 83.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.654 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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