HIT ID: HIT212083119
Cas No: 64506-49-6
分子式: C27H30O6
分子量: 450.531
常用名: Sofalcone
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 5.617787
IUPAC: 2-{5-[(3-methylbut-2-en-1-yl)oxy]-2-[(2E)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl]phenoxy}acetic acid
IUPAC: 2-{5-[(3-methylbut-2-en-1-yl)oxy]-2-[(2E)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl]phenoxy}acetic acid
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc2-[#8]-[#6]-[#6](-[#8])=O)cc1
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc2-[#8]-[#6]-[#6](-[#8])=O)cc1
InChI key: GFWRVVCDTLRWPK-KPKJPENVSA-N
