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Organism

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Chemical Name: 1,3-di-O-Caffeoylquinic acid			Synonyms Cynarin 1, 3-Dicaffeoylquinic acid Cynarine Cinarine Listrocol Plemocil		AIDS# 008522
					Links to ChemID Plus by CAS# 30964-13-7
					Links to PubChem by AIDS# 008522
ISOLATED FROM PLANTS IN THE ASTERACEA FAMILY; ISOLATED FROM CYNARA SCOLYMUS; ISOLATETED FROM CYNARA CARDUNCULUS (ASTERACEAE)
C25 H24 O12		MW: 516.45			Links to PubMed by CAS#
H-bond donors: 7	H-bond acceptors: 12	PHIA (Flexible Bonds): 8.94	Calc. LogP (MDL QSAR): 2.14
Company:			Calc. LogP (KowWin): 0.7
Lines of Data: 2	Anti-HIV Enzyme data: 0	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: TANNINS; NATURAL PRODUCTS, PLANT; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS; QUINIC ACIDS

Chemical Name: Benzenepropanoic acid, .alpha.-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-			Synonyms Rosmarinic acid Rosemary acid Rosmarinate Benzenepropanoic acid, .alpha.-[[(2E)-3-(3, 4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3, 4-dihydroxy-, (.alpha.R)-		AIDS# 026336
					Links to ChemID Plus by CAS# 20283-92-5 [FREE ACID] 537-15-5 [ROSMARINATE]
					Links to PubChem by AIDS# 026336
ISOLATED FROM MOMORDICA BALSAMINA, COLEUS PARVIFOLIUS; OR CALCIUM SALT (2:1); OR MAGNESIUM SALT (2:1)
C18 H16 O8		MW: 360.32			Links to PubMed by CAS#
H-bond donors: 5	H-bond acceptors: 8	PHIA (Flexible Bonds): 6.47	Calc. LogP (MDL QSAR): 1.32
Company:			Calc. LogP (KowWin): 1.82
Lines of Data: 2	Lines of Data: 41	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 6	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: ANTIOXIDANTS; NATURAL PRODUCTS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS

Chemical Name: 3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid			Synonyms 3, 4-Di-O-Caffeoylquinic acid 3, 4-DCQA NSC649410		AIDS# 028061
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 028061

C25 H24 O12		MW: 516.45			Links to PubMed by CAS#
H-bond donors: 7	H-bond acceptors: 12	PHIA (Flexible Bonds): 8.94	Calc. LogP (MDL QSAR): 2.06
Company:			Calc. LogP (KowWin): 1.01
Lines of Data: 7	Lines of Data: 17	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 5	Number of References: 7	Number of References: 1	Lipinski: 1 (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TANNINS; NATURAL PRODUCTS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS; QUINIC ACIDS

Chemical Name: (1S,3R,4R,5R)-3,5-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexanecarboxylic acid			Synonyms 3, 5-Di-O-caffeoylquinic acid 3, 5-DCQA CJ 4-16-4		AIDS# 028062
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 028062
ISOLATED FROM COFFEA ARABICA, BACCHARIS GENISTELLOIDES, ASTER SCABER, FLOS IONICERAE (OR CHIN JINYINHUA)
C25 H24 O12		MW: 516.45			Links to PubMed by CAS#
H-bond donors: 7	H-bond acceptors: 12	PHIA (Flexible Bonds): 8.94	Calc. LogP (MDL QSAR): 1.82
Company: ZYMETX INC			Calc. LogP (KowWin): 1.01
Lines of Data: 5	Lines of Data: 23	Lines of Data: 12	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 5	Number of References: 8	Number of References: 2	Lipinski: 1 (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TANNINS; NATURAL PRODUCTS, PLANT; INTEGRASE INHIBITORS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS; QUINIC ACIDS

Chemical Name: (4S,1R,3R,5R)-3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid			Synonyms 4, 5-Di-O-caffeoylquinic acid 4, 5-DCQA		AIDS# 028063
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 028063
ISOLATED FROM SECURIDAKA LONGIPEDUNCULATA (POLYGALACEAE); ISOLATED FROM ASTER SCABER
C25 H24 O12		MW: 516.45			Links to PubMed by CAS#
H-bond donors: 7	H-bond acceptors: 12	PHIA (Flexible Bonds): 8.94	Calc. LogP (MDL QSAR): 2.06
Company:			Calc. LogP (KowWin): 1.01
Lines of Data: 9	Lines of Data: 38	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 4	Number of References: 7	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TANNINS; NATURAL PRODUCTS, PLANT; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS; QUINIC ACIDS

Chemical Name: 6-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-2,4-dihydroxy-4-(methoxycarbonyl)cyclohexyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate			Synonyms Methyl 3, 4-di-O-Caffeoylquinic acid		AIDS# 028064
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 028064

C26 H26 O12		MW: 530.48			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 12	PHIA (Flexible Bonds): 9.51	Calc. LogP (MDL QSAR): 1.82
Company:			Calc. LogP (KowWin): 0.99
Anti-HIV Cellular data: 0	Lines of Data: 3	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TANNINS; NATURAL PRODUCTS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS

Chemical Name: 3-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-2,5-dihydroxy-5-(methoxycarbonyl)cyclohexyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate			Synonyms Methyl 3, 5-di-O-Caffeoylquinic acid		AIDS# 028065
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 028065

C26 H26 O12		MW: 530.48			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 12	PHIA (Flexible Bonds): 9.51	Calc. LogP (MDL QSAR): 1.72
Company:			Calc. LogP (KowWin): 0.99
Anti-HIV Cellular data: 0	Lines of Data: 3	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 2	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; TANNINS; NATURAL PRODUCTS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS

Chemical Name: 1-Methoxyoxalyl-3,5-dicaffeoylquinic acid			Synonyms 1-MO-3, 5-DCQA		AIDS# 029767
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 029767

C28 H26 O15		MW: 602.5			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 15	PHIA (Flexible Bonds): 11.15	Calc. LogP (MDL QSAR): 3.32
Company:			Calc. LogP (KowWin): 0.35
Lines of Data: 4	Lines of Data: 14	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 4	Number of References: 4	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: TANNINS; NATURAL PRODUCTS, PLANT; INTEGRASE INHIBITORS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS; QUINIC ACIDS

Chemical Name: Butanedioic acid, 2,3-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2R,3R)-			Synonyms [S-(R, R)]-2, 3-Bis[[3-(3, 4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]butanedioic acid L-Chicoric acid L-DCTA Dicaffeoyl-L-tartaric acid L-CA NSC699173		AIDS# 029768
					Links to ChemID Plus by CAS# 70831-56-0
					Links to PubChem by AIDS# 029768
ISOLATED FROM CICHORIUM INTYBUS; (-); (2R,3R); L; NATURAL ENANTIOMER OF CHICORIC ACID
C22 H18 O12		MW: 474.37			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 12	PHIA (Flexible Bonds): 9.32	Calc. LogP (MDL QSAR): 1.38
Company:			Calc. LogP (KowWin): 3.03
Lines of Data: 63	Lines of Data: 49	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 19	Number of References: 22	Number of References: 0	Lipinski: 2 (Score, out of 4)
Classes: NATURAL PRODUCTS; INTEGRASE INHIBITORS; GP120:CD4 BINDING INHIBITORS; CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS

Chemical Name: (1S,3R,4S,5R)-1-Acetyl-3,5-dihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]			Synonyms Cinarcaf Cinarine Listrocol Nivellipid Plemocil NSC91529		AIDS# 030564
					Links to ChemID Plus by CAS# 1182-34-9
					Links to PubChem by AIDS# 030564

C26 H26 O11		MW: 514.48			Links to PubMed by CAS#
H-bond donors: 6	H-bond acceptors: 11	PHIA (Flexible Bonds): 8.97	Calc. LogP (MDL QSAR): 2.13
Company:			Calc. LogP (KowWin): 0.88
Lines of Data: 2	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 2	Number of References: 1	Number of References: 0	Lipinski: 1 (Score, out of 4)
Classes: CAFFEIC ACIDS; BIS-CATECHOLS; CHICORIC ACIDS

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