pomecin A

HCID 9860619

基本情報

標準SMILES: O=C(O)CCCCCCC/C=C\C#CC#Cc1ccco1
InChIKey: AKBAHATYKFKXLG-RQOWECAXSA-N
分子式: C18H20O3
平均分子量: 284.3 g/mol

概要

Pomecin A is a polyunsaturated fatty acid that is tetradec-9-ene-11,13-diynoic acid in which the terminal acetylenic hydrogen is replaced by a 2-furyl group. Shows potent and broad-spectrum activity in vitro against Candida, Aspergillus, and Trichophyton spp.. It has a role as an antifungal agent and a plant metabolite. It is a member of furans, an acetylenic fatty acid, a polyunsaturated fatty acid and an olefinic fatty acid.

名称と識別子

優先名称: pomecin A
IUPAC: (Z)-14-(furan-2-yl)tetradec-9-en-11,13-diynoic acid

名称と別名

pomecin A(Z)-14-(furan-2-yl)tetradeca-9-en-11,13-diynoic acidSCHEMBL2587903CHEBI:82672AKBAHATYKFKXLG-RQOWECAXSA-NEV-086Q27156191(9Z)-14-(2-furyl)tetradec-9-ene-11,13-diynoic acid(Z)-14-(furan-2-yl)tetradec-9-en-11,13-diynoic acid

データベース識別子

PubChem CID: 9860619
ChEBI: CHEBI:82672

物性

構造計算による物性

XLogP: 4.7
極性表面積: 50.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 10
重原子数: 21
形式電荷: 0
複雑度: 464

化合物ノート

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