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Name | Butyrolactone II |
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Molecular formula | C19H16O7 |
IUPAC name | methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate |
Molecular weight | 356.33 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 2.4 |
Synonyms | ACon0_000895 MEGxm0_000191 MolPort-001-739-419 Butyrolactone II_130093 HMS2271M11 [ Show all ] |
Inchi Key | AEKPZNDJHWFONI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H16O7/c1-25-18(24)19(10-11-2-6-13(20)7-3-11)15(16(22)17(23)26-19)12-4-8-14(21)9-5-12/h2-9,20-22H,10H2,1H3 |
PubChem CID | 16745402 |
ChEMBL | CHEMBL1542814 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
463323 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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