Apogossypolone (ApoG2)
HIT214434832
sdf文件结构编辑类似物检索
HIT ID: HIT214434832
Cas No: 886578-07-0
分子式: C56H50O16
分子量: 979
常用名: Apogossypolone (ApoG2)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6,7,7'-trihydroxy-3,3'-dimethyl-5,5'-bis(propan-2-yl)-6'-{2-[6,6',7,7'-tetrahydroxy-3,3'-dimethyl-1,1',4,4'-tetraoxo-5'-(propan-2-yl)-1H,1'H,4H,4'H-[2,2'-binaphthalen]-5-yl]propoxy}-1H,1'H,4H,4'H-[2,2'-binaphthalene]-1,1',4,4'-tetrone
IUPAC: 6,7,7'-trihydroxy-3,3'-dimethyl-5,5'-bis(propan-2-yl)-6'-{2-[6,6',7,7'-tetrahydroxy-3,3'-dimethyl-1,1',4,4'-tetraoxo-5'-(propan-2-yl)-1H,1'H,4H,4'H-[2,2'-binaphthalen]-5-yl]propoxy}-1H,1'H,4H,4'H-[2,2'-binaphthalene]-1,1',4,4'-tetrone
SMILES: CC(C)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(OCC(C)c3c(O)c(O)cc4C(=O)C(=C(C)C(=O)c34)C3=C(C)C(=O)c4c(cc(O)c(O)c4C(C)C)C3=O)c2C(C)C)C1=O
SMILES: CC(C)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(OCC(C)c3c(O)c(O)cc4C(=O)C(=C(C)C(=O)c34)C3=C(C)C(=O)c4c(cc(O)c(O)c4C(C)C)C3=O)c2C(C)C)C1=O
InChI key: VBBMCIZEDVYQGV-UHFFFAOYSA-N
共显示1个结果
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