Name: Pyracrenic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT213885153
Cas No:80832-44-6
常用名:Pyracrenic acid
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
IUPAC:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
InChI key:MNUNUJQYFJZRHQ-VZLLCJDWSA-N

分子式:C39H54O6
分子量:618.855
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
SMILES:CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

Pyracrenic acid is a potent elastase inhibitor with an IC50 value of 1.5 mg/mL. Pyracrenic acid shows DPPH radical scavenging activity. It also shows significant cytotoxic activities against human cancer cells COLO 205 and AGS.

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