Rubioncolin C | 钩毛茜草素 C | CAS 132242-52-5 | AnyMole

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HIT212665866

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HIT212665866

HIT ID:HIT212665866
Cas No:132242-52-5
常用名:Rubioncolin C
别名:钩毛茜草素 C
IUPAC:methyl 4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy]-1-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-2-carboxylate
IUPAC:methyl 4-[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy]-1-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-2-carboxylate
InChI key:UERDSCMBQADHGN-UHFFFAOYSA-N

分子式:C27H22O6
分子量:442.467
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:5.8474684
SMILES:[#6]-[#8]-[#6](=O)-c1c(-[#8])c2ccccc2c(-[#8]-[#6]-2=[#6]-[#6](=O)-c3ccccc3-[#6]-2=O)c1-[#6]\[#6]=[#6](/[#6])-[#6] |t:16|
SMILES:[#6]-[#8]-[#6](=O)-c1c(-[#8])c2ccccc2c(-[#8]-[#6]-2=[#6]-[#6](=O)-c3ccccc3-[#6]-2=O)c1-[#6]\[#6]=[#6](/[#6])-[#6] |t:16|

Rubioncolin C shows good cytotoxicity with IC50 value of 1.53 μM and NF-κB inhibitory activity with IC50 value of 2.97 μM.

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