Name: ROPA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212713518
Cas No:57852-42-3
常用名:ROPA
IUPAC:(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-8-(hydroxymethyl)-4,17-dimethyl-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-5-one
IUPAC:(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-8-(hydroxymethyl)-4,17-dimethyl-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-5-one
InChI key:FFKXTXJQZGIKQZ-WAGMVDSNSA-N

分子式:C28H32O6
分子量:464.558
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.7746441
SMILES:[H][C@]12O[C@]3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@@]21[H])C(C)=C |c:34,t:23,TLB:31:32:2:12.11,11:3:32:14.13.12,THB:14:16:2:12.11,13:12:2:32.16.17,4:3:32:14.13.12|
SMILES:[H][C@]12O[C@]3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@@]21[H])C(C)=C |c:34,t:23,TLB:31:32:2:12.11,11:3:32:14.13.12,THB:14:16:2:12.11,13:12:2:32.16.17,4:3:32:14.13.12|

ROPA, a potent PKCalpha and PKCgamma activator, promotes tumor growth through PKC-activation.

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