Name: A 80915A
Rating: 5 (10 reviews)

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HIT ID:HIT212101305
Cas No:127875-60-9
常用名:A 80915A
别名:A-80915A, A80915A
IUPAC:3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)methyl]-6,8-dihydroxy-2,2,7-trimethyl-2H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-b]pyran-5,10-dione
IUPAC:3,4a-dichloro-10a-[(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)methyl]-6,8-dihydroxy-2,2,7-trimethyl-2H,3H,4H,4aH,5H,10H,10aH-naphtho[2,3-b]pyran-5,10-dione
InChI key:JCIYFFNGTHMEDE-UHFFFAOYSA-N

分子式:C26H31Cl3O5
分子量:529.88
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:6.853319
SMILES:Cc1c(O)cc2C(=O)C3(CC4C(=C)CCC(Cl)C4(C)C)OC(C)(C)C(Cl)CC3(Cl)C(=O)c2c1O
SMILES:Cc1c(O)cc2C(=O)C3(CC4C(=C)CCC(Cl)C4(C)C)OC(C)(C)C(Cl)CC3(Cl)C(=O)c2c1O

A 80915A is A semi-naphthoquinone antibiotic from Streptomyces aculeolatus. It is a potent inhibitor of gastric (H(+)-K+)-ATPase. Inhibition by A80915A is dependent on the conformation of gastric (H(+)-K+)-ATPase, potassium slows the rate of inhibition by converting the enzyme to a conformation where the drug binding site is not as accessible.

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