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Chemical Name: Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)- Synonyms

  • Delphinine

  • NSC56463
AIDS# 012097
Click For Structure Based Search Links to ChemID Plus by CAS#

561-07-9

Links to PubChem by AIDS#

012097


 
C33 H45 N O9  MW: 599.72 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 10 PHIA (Flexible Bonds): 7.04 Calc. LogP
(MDL QSAR): -1.38
Company:  Calc. LogP
(KowWin): 1.25

Lines of Data: 1
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:    3                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: Synonyms

  • Aconitine

  • NSC56464
AIDS# 012098
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302-27-2

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012098


 
C34 H47 N O11  MW: 645.74 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 12 PHIA (Flexible Bonds): 7.7 Calc. LogP
(MDL QSAR): -2.72
Company:  Calc. LogP
(KowWin): 0.17

Lines of Data: 1
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    2                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14-tetrol hydrochloride Synonyms

  • Aconine hydrochloride

  • NSC95098
AIDS# 016545
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016545


 
C25 H41 N O8 . Cl H  MW: 520.06 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 9 PHIA (Flexible Bonds): 6.23 Calc. LogP
(MDL QSAR): -0.52
Company:  Calc. LogP
(KowWin): 

Lines of Data: 1
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:    3                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: Synonyms

  • .alpha.-Oxonitine

  • NSC118777
AIDS# 016574
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016574


 
C33 H43 N O12  MW: 645.7 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 13 PHIA (Flexible Bonds): 7.69 Calc. LogP
(MDL QSAR): -3.02
Company:  Calc. LogP
(KowWin): -1.33

Lines of Data: 1
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:    2                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 20-Ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-(acetylamino)benzoate Synonyms

  • LAPPACONITINE

  • NSC304666
AIDS# 128893
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128893


 
C32 H44 N2 O8  MW: 584.71 Links to PubMed by CAS#

H-bond donors: 3 H-bond acceptors: 10 PHIA (Flexible Bonds): 6.64 Calc. LogP
(MDL QSAR): 0.77
Company:  Calc. LogP
(KowWin): 1.39

Lines of Data: 1
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:    3                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 14-Ethyl-2,4-dihydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docos-21-yl acetate Synonyms

  • Dictyocarpine

  • NSC624740
AIDS# 131791
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131791


 
C26 H39 N O8  MW: 493.59 Links to PubMed by CAS#

H-bond donors: 2 H-bond acceptors: 9 PHIA (Flexible Bonds): 4.6 Calc. LogP
(MDL QSAR): -1.48
Company:  Calc. LogP
(KowWin): -0.45

Lines of Data: 1
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:    4                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol Synonyms

  • Aconine

  • NSC624741
AIDS# 131792
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131792


 
C25 H41 N O9  MW: 499.6 Links to PubMed by CAS#

H-bond donors: 5 H-bond acceptors: 10 PHIA (Flexible Bonds): 5.4 Calc. LogP
(MDL QSAR): -2.1
Company:  Calc. LogP
(KowWin): -3.33

Lines of Data: 1
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:    4                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 14-Ethyl-2-hydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docosane-4,21-diyl diacetate Synonyms

  • 14-Acetyldictyocarpine

  • NSC624742
AIDS# 131793
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Links to PubChem by AIDS#

131793


 
C28 H41 N O9  MW: 535.63 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 10 PHIA (Flexible Bonds): 5.36 Calc. LogP
(MDL QSAR): -1.3
Company:  Calc. LogP
(KowWin): 0.15

Lines of Data: 1
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:    3                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 20-Ethyl-6,16-dimethoxy-4-(methoxymethyl)aconitane-1,7,8,14-tetrol Synonyms

  • Delcosine

  • NSC624743
AIDS# 131794
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131794


 
C24 H39 N O7  MW: 453.57 Links to PubMed by CAS#

H-bond donors: 4 H-bond acceptors: 8 PHIA (Flexible Bonds): 4.62 Calc. LogP
(MDL QSAR): -0.06
Company:  Calc. LogP
(KowWin): -2.02

Lines of Data: 1
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:    4                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

Chemical Name: 14-(Acetyloxy)-20-ethyl-1-hydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-8-yl acetate Synonyms

  • Delphisine

  • NSC624744
AIDS# 131795
Click For Structure Based Search Links to ChemID Plus by CAS#

Links to PubChem by AIDS#

131795


 
C28 H43 N O8  MW: 521.65 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 9 PHIA (Flexible Bonds): 6.24 Calc. LogP
(MDL QSAR): -1.27
Company:  Calc. LogP
(KowWin): 1.09

Lines of Data: 1
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:    3                     (Score, out of 4)
Classes: ALKALOIDS, C19-NORDITERPENOID

 

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