Name: Bischloroanthrabenzoxocinone
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214321643
Cas No:866022-28-8
常用名:Bischloroanthrabenzoxocinone
IUPAC:(1R,17R)-8,10-dichloro-3,7,9-trihydroxy-21-methoxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{19,24}]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one
IUPAC:(1R,17R)-8,10-dichloro-3,7,9-trihydroxy-21-methoxy-12,12,17,23-tetramethyl-18,25-dioxahexacyclo[15.7.1.0^{2,15}.0^{4,13}.0^{6,11}.0^{19,24}]pentacosa-2,4(13),6(11),7,9,14,19(24),20,22-nonaen-5-one
InChI key:ZGJMIZXNGYVIRM-XCZPVHLTSA-N

分子式:C28H24Cl2O7
分子量:543.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@@](C)(Cc3cc4c(C(=O)c5c(O)c(Cl)c(O)c(Cl)c5C4(C)C)c(O)c13)Oc1cc(OC)cc(C)c21 |TLB:25:27:37.29.28:2,30:29:2:27.5.6,35:37:2:27.5.6|
SMILES:[H][C@@]12O[C@@](C)(Cc3cc4c(C(=O)c5c(O)c(Cl)c(O)c(Cl)c5C4(C)C)c(O)c13)Oc1cc(OC)cc(C)c21 |TLB:25:27:37.29.28:2,30:29:2:27.5.6,35:37:2:27.5.6|

Bacterial type II fatty acid synthesis (FAS-II) is mediated by a series of enzymes, each of which may be targeted by potential antibiotics. Bischloroanthrabenzoxocinone (BABX) is an inhibitor of FAS-II, blocking fatty acid synthesis in S. aureus and E. coli with IC50 values of 11.4 and 35.3 μg/ml, respectively. It inhibits the growth of S. aureus and permeable E. coli strains with minimum inhibitory concentrations ranging from 0.2-0.4 μg/ml. BABX also displays binding to liver X receptors (LXRs), inhibiting agonist binding in an LXRα-scintillation proximity assay (IC50 = 10 μM).

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