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embelin
A hydroxybenzoquinone that is 1,4-benzoquinone substituted by hydroxy groups at positions 2 and 5 and an undecyl group at position 3. Isolated from, Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease.


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07. Part of Biological Source of Chemical: plant structure [PO:0009011] > multi-tissue plant structure [PO:0025496] > plant organ [PO:0009008] > phyllome [PO:0006001]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 protease inhibitor [CHEBI:37670] (37) 
 hepatitis C protease inhibitor [CHEBI:64924] (4) 
 embelin [CHEBI:4778] (1)
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 embelin [CHEBI:4778] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 embelin [CHEBI:4778] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 embelin [CHEBI:4778] (1)
06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Plantae (1926) 
 Magnoliophyta (1872) 
 Magnoliopsida (1649) 
 Ericales (68) 
 Primulaceae (26) 
 Aegiceras (3) 
 Aegiceras corniculatum (3)
 Embelia (3) 
 Embelia ribes (3)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 plant structure [PO:0009011] (1497) 
 multi-tissue plant structure [PO:0025496] (1114) 
 fruit [PO:0009001] (81)
 plant organ [PO:0009008] (970) 
 phyllome [PO:0006001] (351) 
 leaf [PO:0025034] (351)
 plant axis [PO:0025004] (691) 
 shoot axis [PO:0025029] (271) 
 stem [PO:0009047] (170)
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) 
 enol [CHEBI:33823] (52) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 enol [CHEBI:33823] (52) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 quinone [CHEBI:36141] (209) 
 benzoquinones [CHEBI:22729] (30) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 quinone [CHEBI:36141] (209) 
 benzoquinones [CHEBI:22729] (30) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 quinone [CHEBI:36141] (209) 
 benzoquinones [CHEBI:22729] (30) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 enol [CHEBI:33823] (52) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 quinone [CHEBI:36141] (209) 
 benzoquinones [CHEBI:22729] (30) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 quinone [CHEBI:36141] (209) 
 benzoquinones [CHEBI:22729] (30) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 cyclic ketone [CHEBI:3992] (644) 
 quinone [CHEBI:36141] (209) 
 benzoquinones [CHEBI:22729] (30) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 enol [CHEBI:33823] (52) 
 hydroxybenzoquinone [CHEBI:71648] (3) 
 embelin [CHEBI:4778] (1)
ChEBI Compound Accession Identifier  [CHEBI:4778]
ChEBI Compound Description  A hydroxybenzoquinone that is 1,4-benzoquinone substituted by hydroxy groups at positions 2 and 5 and an undecyl group at position 3. Isolated from, Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease.
ChEBI Compound Identification Number  4778
ChEBI InChI Value  InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
ChEBI InChIKey Value  IRSFLDGTOHBADP-UHFFFAOYSA-N
ChEBI Compound Name  embelin
ChEBI SMILES Value  CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
ChEBI Substance ID  160709353
ChEBI URL  ChEBI:4778
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  IRSFLDGTOHBADP_UHFFFAOYSA_N_000_000000
PubChem Compound ID  3218