Nelumol A | CAS 77836-86-3 | AnyMole

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HIT213887174

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HIT213887174

HIT ID:HIT213887174
Cas No:77836-86-3
常用名:Nelumol A
IUPAC:(2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol
IUPAC:(2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol
InChI key:MWNIFFJAKKQUJF-NRHDHWSESA-N

分子式:C21H30O4
分子量:346.467
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]-[#8]-c1cc(\[#6]=[#6]\[#6]-[#8])cc(-[#8]-[#6])c1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
SMILES:[#6]-[#8]-c1cc(\[#6]=[#6]\[#6]-[#8])cc(-[#8]-[#6])c1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

Nelumol A, and nelumal A show a potency comparable to the endogenous ligand, they may as a valuable potential novel lead compound in the search for FXR agonists.

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