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Chemical Name: Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl- Synonyms

  • Hypericin
  • Hypericum Extract
  • 1, 3, 4, 6, 8, 13-Hexahydroxy-10, 11-dimethylphenanthro[1, 10, 9, 8-opqra]perylene-7, 14-dione
  • Cyclo-Werol
  • Cyclosan
  • Hypericum red

  • NSC407313; NSC622946
AIDS# 000117
Click For Structure Based Search Links to ChemID Plus by CAS#

548-04-9

Links to PubChem by AIDS#

000117


ISOLATED FROM HYPERICUM PERFORATUM (ST. JOHN'S WORT) 
C30 H16 O8  MW: 504.45 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 8 PHIA (Flexible Bonds): 3.67 Calc. LogP
(MDL QSAR): 3.88
Company:  Calc. LogP
(KowWin): 7.99

Lines of Data: 35

Lines of Data: 4

Lines of Data: 28
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 5

Number of References: 3

Number of References: 5
Lipinski:    2                     (Score, out of 4)
Classes: ANTIVIRALS; NAPHTHODIANTHRONES; VIRUCIDAL AGENTS; PHOTOCHEMICAL VIRAL INACTIVATORS; NATURAL PRODUCTS, PLANT

 

Chemical Name: Pseudohypericin Synonyms

  • Pseudohypericin
  • Hypericum Extract
AIDS# 000118
Click For Structure Based Search Links to ChemID Plus by CAS#

55954-61-5

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000118


ISOLATED FROM HYPERICUM PERFORATUM (ST. JOHN'S WORT) 
C30 H16 O9  MW: 520.45 Links to PubMed by CAS#

H-bond donors: 7 H-bond acceptors: 9 PHIA (Flexible Bonds): 3.95 Calc. LogP
(MDL QSAR): 2.94
Company:  Calc. LogP
(KowWin): 6.53

Lines of Data: 1

Lines of Data: 1
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1

Number of References: 1
Number of References: 0
Lipinski:    2                     (Score, out of 4)
Classes: NAPHTHODIANTHRONES; PHOTOCHEMICALS; NATURAL PRODUCTS, PLANT

 

Chemical Name: N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide Synonyms

  • Colchicin
  • Colchicina
  • Colchicine
  • Colchineos
  • Colchisol
  • Colcin
  • Colsaloid
  • Condylon

  • NSC757
AIDS# 000216
Click For Structure Based Search Links to ChemID Plus by CAS#

64-86-8

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000216


 
C22 H25 N O6  MW: 399.44 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 7 PHIA (Flexible Bonds): 6.56 Calc. LogP
(MDL QSAR): 1.53
Company:  Calc. LogP
(KowWin): 1.86

Lines of Data: 5

Lines of Data: 1

Lines of Data: 15
TB Min MIC

   
TB Min IC50

<  10  uM
 Links to NIST by AIDS#


Number of References: 4

Number of References: 1

Number of References: 9
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; ANTIVIRALS; ALKALOIDS; NATURAL PRODUCTS, PLANT; COLCHICINES

 

Chemical Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one Synonyms

  • Quercetin
  • Meletin
  • Sophoretin

  • NSC9219 (NEUTRAL); NSC57655 (ALUMINUM SALT); NSC58588 (ZIRCONIUM SALT); NSC324608 (METHANOL/H2O)
AIDS# 000487
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6151-25-3 [DIHYDRATE]

7255-55-2 [ZIRCONIUM SALT]

117-39-5 [NEUTRAL]

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000487


OR ALUMINUM SALT; OR DIHYDRATE; OR METHANOL/H2O SOLVATE; ISOLATED FROM HYPERICUM PERFORATUM, RHODODENDRON CINNABARINUM HOOK (ERICACEAE) 
C15 H10 O7  MW: 302.24 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 7 PHIA (Flexible Bonds): 3.38 Calc. LogP
(MDL QSAR): 2.64
Company:  Calc. LogP
(KowWin): 1.48

Lines of Data: 18

Lines of Data: 36

Lines of Data: 26
TB Min MIC

>  100  ug/mL
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 12

Number of References: 18

Number of References: 11
Lipinski:    4                     (Score, out of 4)
Classes: FLAVONOIDS; CHROMENES; CHROMONES; BENZOPYRANS; COUMARINS; INTEGRASE INHIBITORS; NATURAL PRODUCTS, PLANT; VPR INHIBITORS

 

Chemical Name: Fraction VI of extract from cones of Pinus parviflora Synonyms

  • PC6
  • Polysaccharide
AIDS# 000621
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000621


ISOLATED FROM PINUS PARVIFLORA; CONSTITUENTS OF MIXTURE OF POLYPHENOLICS AND POLYSACCHARIDES 
(C9 H8 O3)n . (C6 H10 O6)n  MW: 342.3 Links to PubMed by CAS#

H-bond donors: 7 H-bond acceptors: 9 PHIA (Flexible Bonds): 8.39 Calc. LogP
(MDL QSAR): -4.72
Company:  Calc. LogP
(KowWin): 

Lines of Data: 8
Anti-HIV Enzyme data: 0
Anti-OI data: 0
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 4
Number of References: 0
Number of References: 0
Lipinski:    3                     (Score, out of 4)
Classes: IMMUNOMODULATORS; NATURAL PRODUCTS, PLANT; CATECHOLS

 

Chemical Name: Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester Synonyms

  • EGCg
  • Catechin deriv.
  • (-)-Epigallocatechin gallate
  • EGCG
AIDS# 000674
Click For Structure Based Search Links to ChemID Plus by CAS#

989-51-5

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000674


ISOLATED FROM CAMELLIA SINENSIS, ISOLATED FROM THEA SINENSIS; (-)-(2R, 3R) CIS ISOMER 
C22 H18 O11  MW: 458.37 Links to PubMed by CAS#

H-bond donors: 8 H-bond acceptors: 11 PHIA (Flexible Bonds): 6.09 Calc. LogP
(MDL QSAR): 0.66
Company:  MITSUI NORIN Calc. LogP
(KowWin): 2.56

Lines of Data: 8

Lines of Data: 18

Lines of Data: 10
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 5

Number of References: 9

Number of References: 5
Lipinski:    2                     (Score, out of 4)
Classes: BENZOPYRANS; GALLIC ACIDS; NATURAL PRODUCTS, PLANT; VIRUCIDAL AGENTS

 

Chemical Name: Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis- Synonyms

  • (-)-Epicatechin gallate
  • (-)-Epicatechin-3-O-gallate

  • NSC636594
AIDS# 000675
Click For Structure Based Search Links to ChemID Plus by CAS#

1257-08-5

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000675


ISOLATED FROM CAMELLIA SINENSIS; ISOLATED FROM THEA SINENSIS; ISOLATED FROM DETARIUM MICROCARPUM; (R,R)-(-)-ISOMER 
C22 H18 O10  MW: 442.37 Links to PubMed by CAS#

H-bond donors: 7 H-bond acceptors: 10 PHIA (Flexible Bonds): 5.88 Calc. LogP
(MDL QSAR): 1.08
Company:  MITSUI NORIN Calc. LogP
(KowWin): 2.62

Lines of Data: 21

Lines of Data: 20

Lines of Data: 2
TB Min MIC

>  128  ug/mL
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 9

Number of References: 9

Number of References: 2
Lipinski:    3                     (Score, out of 4)
Classes: NON-NUCLEOSIDE RT INHIBITORS; NATURAL PRODUCTS, PLANT; FLAVONOIDS

 

Chemical Name: 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one Synonyms

  • Baicalein
  • 5, 6, 7-Trihydroxyflavone
  • Sho-saiko-to

  • NSC661431
AIDS# 000731
Click For Structure Based Search Links to ChemID Plus by CAS#

491-67-8

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000731


ISOLATED FROM SCUTELLARIA BAICALENSIS (SCUTELLARIAE) (SHO-SAIKO-TO) 
C15 H10 O5  MW: 270.24 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 5 PHIA (Flexible Bonds): 2.96 Calc. LogP
(MDL QSAR): 3.12
Company:  TSUMURA Calc. LogP
(KowWin): 0.85

Lines of Data: 4

Lines of Data: 27

Lines of Data: 25
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 4

Number of References: 13

Number of References: 6
Lipinski:    4                     (Score, out of 4)
Classes: NATURAL PRODUCTS, PLANT; NON-PEPTIDIC HIV PROTEASE INHIBITORS; CHROMONES; FLAVONOIDS

 

Chemical Name: 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)- Synonyms

  • (-)-Epicatechin
  • .alpha. Catechin

  • NSC81161
AIDS# 001347
Click For Structure Based Search Links to ChemID Plus by CAS#

490-46-0

Links to PubChem by AIDS#

001347


ISOLATED FROM PTEROCARPUS MARSUPIUM; ISOLATED FROM DETARIUM MICROCARPUM; (-)-(2R,3R) CIS ISOMER 
C15 H14 O6  MW: 290.27 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 6 PHIA (Flexible Bonds): 3.5 Calc. LogP
(MDL QSAR): 0.66
Company:  REGA INSTITUTE Calc. LogP
(KowWin): 1.18

Lines of Data: 11

Lines of Data: 16

Lines of Data: 2
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 7

Number of References: 9

Number of References: 2
Lipinski:    4                     (Score, out of 4)
Classes: FLAVONOIDS; NATURAL PRODUCTS, PLANT; NON-PEPTIDIC HIV PROTEASE INHIBITORS

 

Chemical Name: (-)cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol Synonyms

  • (-)-Epigallocatechin
  • (3, 3', 4', 5, 5', 7-Hexahydroxyflavan)
AIDS# 001348
Click For Structure Based Search Links to ChemID Plus by CAS#

970-74-1

Links to PubChem by AIDS#

001348


ISOLATED FROM CAMELLIA SINENSIS; ISOLATED FROM THEA SINENSIS; ISOLATED FROM CROTON DRACONOIDES; (-)-(2R)-CIS 
C15 H14 O7  MW: 306.27 Links to PubMed by CAS#

H-bond donors: 6 H-bond acceptors: 7 PHIA (Flexible Bonds): 3.71 Calc. LogP
(MDL QSAR): 0.09
Company:  REGA INSTITUTE Calc. LogP
(KowWin): 1.12

Lines of Data: 8

Lines of Data: 9

Lines of Data: 3
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 4

Number of References: 6

Number of References: 1
Lipinski:    3                     (Score, out of 4)
Classes: FLAVONOIDS; NATURAL PRODUCTS, PLANT

 

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