Humulone
HIT105146378
sdf文件结构编辑类似物检索
HIT ID: HIT105146378
Cas No:
分子式: C21H30O5
分子量: 362.466
常用名: Humulone
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.31
IUPAC: (4R)-3,4,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
IUPAC: (4R)-3,4,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
SMILES: CC(C)CC(=O)C1=C(O)[C@@](O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O
SMILES: CC(C)CC(=O)C1=C(O)[C@@](O)(CC=C(C)C)C(O)=C(CC=C(C)C)C1=O
InChI key: RMFGNMMNUZWCRZ-OAQYLSRUSA-N
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