Name: (2-Methylbutyryl)shikonin
Rating: 5 (10 reviews)

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HIT ID:HIT212687455
Cas No:52387-15-2
常用名:(2-Methylbutyryl)shikonin
别名:(2-甲基正丁酰基)紫草素
IUPAC:1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylbutanoate
IUPAC:1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylbutanoate
InChI key:ODQATBANLZCROD-UHFFFAOYSA-N

分子式:C21H24O6
分子量:372.417
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:5.140857
SMILES:[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |t:13|
SMILES:[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |t:13|

(2-Methylbutyryl)shikonin is a natural product from Lithospermum erythrorhizon Sieb. et Zucc.

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