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                  Page - 1 of 1                  Record - 1 of 10   [TOP]
Compound ID3862
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedThymol (24.0 %)
PubChem ID   6989
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Aromatic, Terpene, Monoterpene, Phenol
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight150.104
Molecular FormulaC10H14O
SMILESOc1c(C(C)C)ccc(c1)C
XLogP3.556
PSA20.230
H-bond Donor1
H-bond Acceptor1
No. of Rotatable Bond Count1
No. of Rings1
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 2 of 10   [TOP]
Compound ID3863
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedTrans - β - Caryophyllene (13.3 %)
PubChem ID   5354499
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Terpene, Sesquiterpene
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight204.188
Molecular FormulaC15H24
SMILESC1(C2C(C1)C(=C)CC/C=C(/CC2)C)(C)C
XLogP6.044
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 3 of 10   [TOP]
Compound ID3864
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedP - Cymene (3.2 %)
PubChem ID   7463
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Aromatic, Alkyl
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight134.110
Molecular FormulaC10H14
SMILESC(c1ccc(cc1)C)(C)C
XLogP5.785
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count1
No. of Rings1
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 4 of 10   [TOP]
Compound ID3865
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identifiedα - Pinene (2.6%)
PubChem ID   6654
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Terpene, Monoterpene
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight136.125
Molecular FormulaC10H16
SMILESC1(C2CC1C(=CC2)C)(C)C
XLogP4.177
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count0
No. of Rings1
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 5 of 10   [TOP]
Compound ID3866
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identifiedα - Humulene (2.4%)
PubChem ID   5281520
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Terpene, Sesquiterpene
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight204.188
Molecular FormulaC15H24
SMILESC1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C
XLogP5.940
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count0
No. of Rings1
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 6 of 10   [TOP]
Compound ID3867
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedThymyl acetate (2.3 %)
PubChem ID   68252
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Aromatic, Terpene, Monoterpene, O-Acetyl
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight192.115
Molecular FormulaC12H16O2
SMILESO(c1c(C(C)C)ccc(c1)C)C(=O)C
XLogP4.296
PSA26.300
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count3
No. of Rings1
No. of N0
No. of O2
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 7 of 10   [TOP]
Compound ID3868
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedViridiflorene (2.3 %)
PubChem ID   10910653
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight204.188
Molecular FormulaC15H24
SMILES[C@@H]12C([C@@H]1CCC(=C1[C@H]2[C@@H](CC1)C)C)(C)C
XLogP5.948
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count0
No. of Rings3
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 8 of 10   [TOP]
Compound ID3869
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedCaryophyllene oxide (2.2 %)
PubChem ID   14350
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight220.183
Molecular FormulaC15H24O
SMILESO1C2(C1CCC(=C)C1C(C(C1)(C)C)CC2)C
XLogP4.607
PSA12.530
H-bond Donor0
H-bond Acceptor1
No. of Rotatable Bond Count0
No. of Rings3
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 9 of 10   [TOP]
Compound ID3870
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identifiedα - Bisabolol (1.7 %)
PubChem ID   10586
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Terpene, Sesquiterpene, Prenylated, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight222.198
Molecular FormulaC15H26O
SMILESOC(C1CCC(=CC1)C)(CCC=C(C)C)C
XLogP4.085
PSA20.230
H-bond Donor1
H-bond Acceptor1
No. of Rotatable Bond Count4
No. of Rings1
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen

                  Record - 10 of 10   [TOP]
Compound ID3871
Compound Structure
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Plant SourceAchyrocline alata     Common Name:NR
Source FamilyAsteraceae (Compositae)
OriginColombia
Plant Part UsedLeaf, stem
ExtractEssential oil (0.3 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]NR
Activity [MIC] µg/ml62.5 ± 0.01 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound Identifiedα - Eudesmol (1.6 %)
PubChem ID   92762
Ethnomedicinal InformationTuberculosis
PubMed ID [Source Literature]19753839
Extract PreparationThe essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Terpene, Sesquiterpene, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]
Cytotoxicity Assay [AID]NR
Molecular Weight222.198
Molecular FormulaC15H26O
SMILESOC([C@H]1C[C@@H]2[C@@](CC1)(CCC=C2C)C)(C)C
XLogP4.785
PSA20.230
H-bond Donor1
H-bond Acceptor1
No. of Rotatable Bond Count1
No. of Rings2
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

CuratorKeyaMukherjee, Farzana Shamsudeen


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