Garcinol
HIT212670912
sdf文件结构编辑类似物检索
HIT ID: HIT212670912
Cas No: 78824-30-3
分子式: C38H50O6
分子量: 602.812
常用名: Garcinol
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 9.140703
IUPAC: (1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
IUPAC: (1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |c:37|
SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |c:37|
InChI key: QDKLRKZQSOQWJQ-SMDXAGPFSA-N
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