Name: Helenalin Acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712810
Cas No:10180-86-6
常用名:Helenalin Acetate
IUPAC:(3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl acetate
IUPAC:(3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl acetate
InChI key:DCNRYQODUSSOKC-HKHYKUHTSA-N

分子式:C17H20O5
分子量:304.342
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:2.2880323
SMILES:C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |c:20|
SMILES:C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |c:20|

Helenalin Acetate is an anti-inflammatory and anti-cancer agent, disrupting the cooperation of CCAAT-box/enhancer-binding protein beta (C/EBPß) and co-activator p300.

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