Isochlorogenic acid A

Category	Hepatitis B Virus (HBV)
CAS	2450-53-5
Description	3,5-Di-O-caffeoylquinic acid isolated from the flowerbud of Lonicera japonica Thunb. It has hepatoprotective and potent anti-hepatitis B activities.

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Synonyms	Isochlorogenic acid A;2450-53-5;3,5-Dicaffeoylquinic acid;3,5-Di-O-caffeoylquinic acid;89919-62-0;3,5-DCQA;3,5-Dicaffeoyl-epi-quinic acid;(E,E)-3,5-Di-O-caffeoylquinic acid;Quinic acid 3,5-di-O-caffeate;879305-14-3;(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid;(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid;3,5-Dicaffeoylquininic acid;3,5-DICQA;CJ 4-16-4;CJ-4-16-4;CHEMBL249447;ND94C5E75K;3,5-di-O-caffeoyl quinic acid;CHEMBL4289566;CHEBI:65751;Dicaffeoylquinic acid;(1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoate;(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid;(3R,5R)-3,5-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexanecarboxylic acid;3,5-dicaffeoyl quinic acid;3,5-O-dicaffeoylquinic acid;Isochlorogenic-acid-A;3,5-dicaffeoylquinate;3,5-H56:H75dicaffeoyl-epi-quinic acid;3,5-Dicaffeoylquinicacid;UNII-ND94C5E75K;3,5-di-O-Aaffeoylquinic acid;Rel-3,5-Dicaffeoylquinic Acid;CHEMBL4466054;SCHEMBL13567304;SCHEMBL20339739;ACon1_002290;GTPL12548;DTXSID00424282;HY-N0056;HY-N9895;BDBM50362839;BDBM50466107;MFCD00951290;s9282;(E,E)-3,5-O-dicaffeoylquinic acid;AKOS015903388;AKOS016007890;AKOS032948323;CCG-269821;CS-3768;NCGC00169984-01;NCGC00169984-03;NCGC00390251-01;(3R,5R)-3,5-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl))-1,4-dihydroxy-cyclohexanecarboxylic acid;1ST40155;BS-42212;DA-49507;DA-60222;DA-74544;PD197614;3,5-DI-O-(E)-CAFFEOYLQUINIC ACID;CS-0204164;A877898;Q-100315;3,5-Di-caffeoylquinic acid, >=95% (LC/MS-ELSD);Q27134233;(1.ALPHA.,3R,4.ALPHA.,5R)-3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID;(1\|A,3R,4\|A,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylic acid;(1R,3R,4S,5R)-3,5-Bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid;(1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid;(1S,3R,4S,5R)-3,5-Bis(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexanecarboxylicacid;(1S,3R,4S,5R)-3,5-BIS(((E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL)OXY)-1,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID;CYCLOHEXANECARBOXYLIC ACID, 1,4-DIHYDROXY-3,5-BIS(((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-;CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4-DIHYDROXY-, (1.ALPHA.,3R,4.ALPHA.,5R)-;CYCLOHEXANECARBOXYLIC ACID, 3,5-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4-DIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(E),4.ALPHA.,5.BETA.(E)))-;
IUPAC Name	(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
Molecular Weight	720
Molecular Formula	C37H61N5O7S
Canonical SMILES	CCCCNC(=O)[C@@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)O)C(C)C
InChI	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
InChIKey	KRZBCHWVBQOTNZ-RDJMKVHDSA-N
Purity	0.98
Density	1.645 g/cm3
Appearance	Solid
Application	antiviral activity; antioxidant activity; antihepatotoxic;