Name: Eichlerialactone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315862
Cas No:2202-01-9
常用名:Eichlerialactone
IUPAC:3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
IUPAC:3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
InChI key:LEKUPXHLKIIVCR-FAKJQIDCSA-N

分子式:C27H42O4
分子量:430.629
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C)[C@]1(C)CCC(=O)O1
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]1([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C)[C@]1(C)CCC(=O)O1

Eichlerialactone and ethyl eichlerianoate show antimycobacterial activity against mycobacterium tuberculosis H37Ra, with minimum inhibitory concentration in the range of 25-50ug/mL; eichlerialactone exhibits good antibacterial activity against both the Gram-positive pathogens. Eichlerialactone is weakly cytotoxic to a breast cancer (BC) cell line.

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