HIT ID: HIT212664527
Cas No: 70872-29-6
分子式: C21H22O5
分子量: 354.402
常用名: (2S)-Isoxanthohumol
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.059569
IUPAC: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
SMILES: [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
InChI key: YKGCBLWILMDSAV-SFHVURJKSA-N
