Name: Thielocin B1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212680616
Cas No:144118-26-3
常用名:Thielocin B1
别名:Thielocin-B1
IUPAC:4-{4-[3-({4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy}carbonyl)-4,6-dihydroxy-2,5-dimethylphenoxy]-2-methoxy-3,5,6-trimethylbenzoyloxy}-2-methoxy-3,5,6-trimethylbenzoic acid
IUPAC:4-{4-[3-({4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy}carbonyl)-4,6-dihydroxy-2,5-dimethylphenoxy]-2-methoxy-3,5,6-trimethylbenzoyloxy}-2-methoxy-3,5,6-trimethylbenzoic acid
InChI key:BOFISKFABQHONR-UHFFFAOYSA-N

分子式:C53H58O17
分子量:967.03
氢键供体数 (HBD):4
氢键受体数 (HBA):13
LogP:14.373089
SMILES:COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(O)=O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
SMILES:COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(O)=O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O

Thielocin B1 is a protein-protein interaction inhibitor of PAC3 homodimer. Thielocin B1 was isolated as a novel phospholipase A2 inhibitor from the fermentation broth of Thielavia terricola RF-143.

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