Name: Multicaulisin
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212665716
Cas No:286461-76-5
常用名:Multicaulisin
IUPAC:6-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-en-1-yl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
IUPAC:6-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-en-1-yl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
InChI key:IRBDNXPVYAEOSW-IKXMMLORSA-N

分子式:C40H36O11
分子量:692.717
氢键供体数 (HBD):8
氢键受体数 (HBA):11
LogP:7.8928123
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@H](-[#6@@H](-[#6@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2oc(cc(=O)c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |t:6|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@H](-[#6@@H](-[#6@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2oc(cc(=O)c2c1-[#8])-c1ccc(-[#8])cc1-[#8] |t:6|

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