Name: Pungiolide A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316142
Cas No:130395-54-9
常用名:Pungiolide A
IUPAC:12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobut-1-en-1-yl)-2,3a,4,7,8,8a-hexahydro-6',14'-dioxaspiro[cyclohepta[b]furan-3,13'-tricyclo[8.4.0.0^{3,7}]tetradecan]-11'-ene-2,5'-dione
IUPAC:12'-acetyl-10'-hydroxy-7,9'-dimethyl-4'-methylidene-6-(3-oxobut-1-en-1-yl)-2,3a,4,7,8,8a-hexahydro-6',14'-dioxaspiro[cyclohepta[b]furan-3,13'-tricyclo[8.4.0.0^{3,7}]tetradecan]-11'-ene-2,5'-dione
InChI key:BGZGKGJBTWDZQU-UHFFFAOYSA-N

分子式:C29H34O8
分子量:510.583
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1CC2OC(=O)C3(OC4CC5C(CC(C)C4(O)C=C3C(C)=O)OC(=O)C5=C)C2CC=C1C=CC(C)=O |w:32.36,c:19,34|
SMILES:CC1CC2OC(=O)C3(OC4CC5C(CC(C)C4(O)C=C3C(C)=O)OC(=O)C5=C)C2CC=C1C=CC(C)=O |w:32.36,c:19,34|

Pungiolide A exhibits moderate cytotoxicities with IC50 values in the range of 0.90-6.84 uM.

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