Cathayanon I
HIT214312621
sdf文件结构编辑类似物检索
HIT ID: HIT214312621
Cas No: 1303438-52-9
分子式: C25H28O7
分子量: 440.492
常用名: Cathayanon I
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R)-2-[2,4-dihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: (2R,3R)-2-[2,4-dihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@H]-2-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6](=O)-[#6@@H]-2-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@H]-2-[#8]-c3cc(-[#8])cc(-[#8])c3-[#6](=O)-[#6@@H]-2-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
InChI key: VESRPTMNCMGDBT-LOSJGSFVSA-N
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