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methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate
A benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212] > secondary metabolite [CHEBI:26619] > methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Fungi, Yeasts, Molds and Mildews (348) 
 Dikarya (97) 
 Ascomycota (82) 
 Pezizomycotina (82) 
 Sordariomycetes (72) 
 Xylariomycetidae (19) 
 Xylariales (19) 
 Xylariaceae (19) 
 Xylaria (19)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 unspecified structure [PO:0000004] (703)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 secondary alcohol [CHEBI:35681] (342) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 organic amino compound [CHEBI:50047] (2472) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 primary amino compound [CHEBI:50994] (104) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 secondary alcohol [CHEBI:35681] (342) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 organic amino compound [CHEBI:50047] (2472) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 primary amino compound [CHEBI:50994] (104) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 secondary alcohol [CHEBI:35681] (342) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 aromatic ester [CHEBI:62732] (94) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic amino compound [CHEBI:50047] (2472) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 primary amino compound [CHEBI:50994] (104) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 aromatic compound [CHEBI:33655] (3799) 
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 aromatic ester [CHEBI:62732] (94) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic aromatic compound [CHEBI:33659] (3593) 
 aromatic amine [CHEBI:33860] (91) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 benzoate ester [CHEBI:36054] (83) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 polyol [CHEBI:26191] (437) 
 diol [CHEBI:23824] (172) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 alcohol [CHEBI:30879] (1371) 
 tertiary alcohol [CHEBI:26878] (183) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
 secondary alcohol [CHEBI:35681] (342) 
 methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate [CHEBI:66710] (1)
ChEBI Compound Accession Identifier  [CHEBI:66710]
ChEBI Compound Description  A benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells.
ChEBI Compound Identification Number  66710
ChEBI InChI Value  InChI=1S/C13H19NO4/c1-13(2,17)11(15)7-8-6-9(14)4-5-10(8)12(16)18-3/h4-6,11,15,17H,7,14H2,1-3H3
ChEBI InChIKey Value  GFEYQRHXVKZFIV-UHFFFAOYSA-N
ChEBI Compound Name  methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate
ChEBI SMILES Value  COC(=O)c1ccc(N)cc1CC(O)C(C)(C)O
ChEBI Substance ID  160645366
ChEBI URL  ChEBI:66710
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  GFEYQRHXVKZFIV_UHFFFAOYSA_N_000_000000
PubChem Compound ID  24748764