Name: 7beta-(3-Ethyl-cis-crotonoyloxy)-1alpha-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone
Rating: 5 (10 reviews)

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HIT ID:HIT213887046
Cas No:80514-14-3
常用名:7beta-(3-Ethyl-cis-crotonoyloxy)-1alpha-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone
常用名:7beta-(3-Ethyl-cis-crotonoyloxy)-1alpha-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone
IUPAC:(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-[(2-methylbutanoyl)oxy]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
IUPAC:(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-[(2-methylbutanoyl)oxy]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
InChI key:XTQQLVJPORCMAK-NMNXYZJCSA-N

分子式:C26H38O5
分子量:430.585
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(=O)O[C@H]1[C@@H]2[C@H]([C@@H](C[C@@H](OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O
SMILES:CCC(C)C(=O)O[C@H]1[C@@H]2[C@H]([C@@H](C[C@@H](OC(=O)\C=C(/C)CC)C2=C)C(C)C)\C(=C\C)C1=O

7beta-(3-Ethyl-cis-crotonoyloxy)-1alpha-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone shows diacylglycerol acyltransferase (DGAT)1 inhibition with IC(50) values of 47.0 microM (for rat liver microsomes) and 160.7 microM (for HepG2 cell microsomes), respectively.

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