Name: Cucurbitacin A
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212665383
Cas No:6040-19-3
常用名:Cucurbitacin A
别名:葫芦素A
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,8S,9aR,9bR,11aR)-2,8-dihydroxy-9b-(hydroxymethyl)-3a,6,6,11a-tetramethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
IUPAC:(3E,6R)-6-[(1R,2R,3aS,3bS,8S,9aR,9bR,11aR)-2,8-dihydroxy-9b-(hydroxymethyl)-3a,6,6,11a-tetramethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
InChI key:IHTCCHVMPGDDSL-IVNGUWCNSA-N

分子式:C32H46O9
分子量:574.711
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:1.8523139
SMILES:[H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21CO |c:11|
SMILES:[H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21CO |c:11|

Cucurbitacin A (Standard) 是 Cucurbitacin A 的标准品。适用于定量分析、质量控制及生化实验等相关研究。Cucurbitacin I, cytotoxic triterpenoid sterols isolated from plants, elicits the formation of actin/phospho-myosin II co-aggregates by stimulation of the RhoA/ROCK pathway and inhibition of LIM-Kinase.

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