Name: Nidulin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212039026
Cas No:10089-10-8
常用名:Nidulin
IUPAC:4-[(2E)-but-2-en-2-yl]-5,13,15-trichloro-14-hydroxy-6-methoxy-7,12-dimethyl-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
IUPAC:4-[(2E)-but-2-en-2-yl]-5,13,15-trichloro-14-hydroxy-6-methoxy-7,12-dimethyl-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
InChI key:FSINAZMQWFDQSD-VOTSOKGWSA-N

分子式:C20H17Cl3O5
分子量:443.7
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:6.7621946
SMILES:COc1c(C)c2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc2c(\C(C)=C\C)c1Cl
SMILES:COc1c(C)c2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc2c(\C(C)=C\C)c1Cl

Nidulin is a depsidone originally isolated from A. nidulans. It is active against the bacteria M. tuberculosis and M. ranoe, as well as the fungi T. tonsurans and M. audouini. It also inhibits the growth of methicillin-resistant S. aureus (MRSA; MIC = 4 μg/ml) and has larvicidal activity toward Artemia (LC50 = 2.8 μg/ml). Nidulin is cytotoxic to MOLT-3 cells (IC50 = 21.2 μM) but not HuCCA-1, HepG2, or A549 cells (IC50s = >112.7 μM). It inhibits aromatase with an IC50 value of 11.2 μM.

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