HIT ID: HIT101162498
Cas No: 78916-42-4
分子式: C26H32O4
分子量: 408.538
常用名: Amorfrutin B
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 7.744
IUPAC: 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
IUPAC: 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
SMILES: [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
SMILES: [#6]-[#8]-c1cc(-[#6]-[#6]-c2ccccc2)c(-[#6](-[#8])=O)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
InChI key: DKNIJLWIVUCTHW-CPNJWEJPSA-N
