HIT ID: HIT105735998
Cas No: 19879-30-2
分子式: C21H22O4
分子量: 338.403
常用名: Bavachinin
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 4.837
IUPAC: (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](/[#6])-[#6])-c1ccc(-[#8])cc1
SMILES: [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](/[#6])-[#6])-c1ccc(-[#8])cc1
InChI key: VOCGSQHKPZSIKB-FQEVSTJZSA-N
