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                  Page - 1 of 1                  Record - 1 of 9   [TOP]
Compound ID1069
Compound Structure
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Plant SourceAgelica sinensis     Common Name:Female Ginseng
Source FamilyApiaceae (Umbelliferae)
OriginChina
Plant Part UsedRoot
ExtractPetroleum ether, chloroform
Target BacteriaMycobacterium tuberculosis (Erdman)
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.05 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml49.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedOplopandiol
PubChem ID   6474833
Ethnomedicinal InformationTo treat gynecological ailments, fatigue, mild anemia and high blood pressure
PubMed ID [Source Literature]18567055, 12696940
Extract PreparationN/A
Chemical Classification [Active Compound]Aliphatic, Alkene, Alkyne, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight262.193
Molecular FormulaC17H26O2
SMILESO[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)CC
XLogP4.977
PSA40.460
H-bond Donor2
H-bond Acceptor2
No. of Rotatable Bond Count8
No. of Rings0
No. of N0
No. of O2
No. of S0
Reference(s)1) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82

2) Zhao KJ, Dong TT, Tu PF, Song ZH, Lo CK, Tsim KW (April 2003).Molecular genetic and chemical assessment of radix Angelica (Danggui) in China. J. Agric. Food Chem. 51 (9): 2576.83

Curator

                  Record - 2 of 9   [TOP]
Compound ID3744
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)NR
Active Compound Identified3-O-Vanillylceanothic acid
PubChem ID   11988338
Ethnomedicinal InformationMalaria, tuberculosis
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Vanillyl, Acid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]N/A
Molecular Weight636.366
Molecular FormulaC38H52O8
SMILESO([C@@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@H]1C(=O)O)C)(C)C)C(=O)c1cc(OC)c(O)cc1
XLogP9.336
PSA130.360
H-bond Donor3
H-bond Acceptor8
No. of Rotatable Bond Count7
No. of Rings6
No. of N0
No. of O8
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 3 of 9   [TOP]
Compound ID3745
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedBetulinaldehyde
PubChem ID   317607
Ethnomedicinal InformationMalaria, tuberculosis
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Aldehyde, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]N/A
Molecular Weight440.365
Molecular FormulaC30H48O2
SMILESOC1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C=O)CC3)C)(CC2)C)(CC1)C)(C)C
XLogP9.821
PSA37.300
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count2
No. of Rings5
No. of N0
No. of O2
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 4 of 9   [TOP]
Compound ID3746
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedBetulinic acid
PubChem ID   64971
Ethnomedicinal InformationMalaria, tuberculosis
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]N/A
Molecular Weight456.360
Molecular FormulaC30H48O3
SMILESO[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@@H]5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)(CC1)C)(C)C
XLogP9.407
PSA57.530
H-bond Donor2
H-bond Acceptor3
No. of Rotatable Bond Count2
No. of Rings5
No. of N0
No. of O3
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 5 of 9   [TOP]
Compound ID3747
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml12.5 µg/ml (IC50 : 0.9)
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)NR
Active Compound Identified2-O-E-p-Coumaroylalphitolic
PubChem ID   15958446
Ethnomedicinal Information
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid, Cinnamoyl, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight618.392
Molecular FormulaC39H54O6
SMILESO([C@@H]1C[C@@]2(C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC[C@H]2C([C@H]1O)(C)C)C)C)C(=O)/C=C/c1ccc(O)cc1
XLogP10.872
PSA104.060
H-bond Donor3
H-bond Acceptor6
No. of Rotatable Bond Count6
No. of Rings6
No. of N0
No. of O6
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 6 of 9   [TOP]
Compound ID3748
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedAlphitolic acid
PubChem ID   470606
Ethnomedicinal InformationMalaria, tuberculosis
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]N/A
Molecular Weight470.340
Molecular FormulaC30H46O4
SMILESO[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(=CC3)C3[C@@](CC4)(CC[C@H]3C(=C)C)C(=O)O)C)(CC2)C)(C[C@H]1O)C)(C)C
XLogP7.326
PSA77.760
H-bond Donor3
H-bond Acceptor4
No. of Rotatable Bond Count2
No. of Rings5
No. of N0
No. of O4
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 7 of 9   [TOP]
Compound ID3749
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedZizyberanalic acid
PubChem ID   15958447
Ethnomedicinal InformationMalaria, tuberculosis
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Aldehyde, Acid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]N/A
Molecular Weight470.340
Molecular FormulaC30H46O4
SMILESO[C@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@@H]1C=O)C)(C)C
XLogP8.733
PSA74.600
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count3
No. of Rings5
No. of N0
No. of O4
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 8 of 9   [TOP]
Compound ID3750
Compound Structure
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Plant SourceZiziphus cambodiana Pierre     Common Name:NR
Source FamilyRhamnaceae
OriginNortheast of Thailand
Plant Part UsedRoot bark
ExtractNR
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml100 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedZizyberenalic acid
PubChem ID   15958447
Ethnomedicinal InformationMalaria, tuberculosis
PubMed ID [Source Literature]16595959
Extract PreparationPulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Aldehyde, Acid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]N/A
Molecular Weight470.340
Molecular FormulaC30H46O4
SMILESO[C@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@@H]1C=O)C)(C)C
XLogP8.733
PSA74.600
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count3
No. of Rings5
No. of N0
No. of O4
No. of S0
Reference(s)1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

CuratorVikramjitmandal, rachanake

                  Record - 9 of 9   [TOP]
Compound ID1074
Compound Structure
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Plant SourceAgelica sinensis     Common Name:Female Ginseng
Source FamilyApiaceae (Umbelliferae)
OriginChina
Plant Part UsedRoot
ExtractPetroleum ether, chloroform
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.06 µg/ml)
Inhibition [%]>= 90 %
Activity [MIC] µg/ml50.2 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedOplopandiol
PubChem ID   6474833
Ethnomedicinal InformationTo treat gynecological ailments, fatigue, mild anemia and high blood pressure
PubMed ID [Source Literature]18567055, 12696940
Extract PreparationN/A
Chemical Classification [Active Compound]Aliphatic, Alkene, Alkyne, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight262.193
Molecular FormulaC17H26O2
SMILESO[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)CC
XLogP4.977
PSA40.460
H-bond Donor2
H-bond Acceptor2
No. of Rotatable Bond Count8
No. of Rings0
No. of N0
No. of O2
No. of S0
Reference(s)1) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82

2) Zhao KJ, Dong TT, Tu PF, Song ZH, Lo CK, Tsim KW (April 2003).Molecular genetic and chemical assessment of radix Angelica (Danggui) in China. J. Agric. Food Chem. 51 (9): 2576.83

Curator


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