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                  Page - 1 of 1                  Record - 1 of 9   [TOP]
Compound ID4004
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.1 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedGoyazensolide
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight360.121
Molecular FormulaC19H20O7
SMILESCC12C[C@H](OC(=O)C(=C)C)[C@@H]3[C@H](OC(=O)C3=C)/C=C(/CO)C(=CC2=O)O1
XLogP0.576
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count4
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 2 of 9   [TOP]
Compound ID4005
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.1 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedCentratherin
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight374.137
Molecular FormulaC20H22O7
SMILESCC12C[C@H](OC(=O)/C(=CC)/C)[C@@H]3[C@H](OC(=O)C3=C)/C=C(/CO)C(=CC2=O)O1
XLogP1.100
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count4
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 3 of 9   [TOP]
Compound ID4006
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml6.2 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedLychnophorolide B
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Ester, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight374.137
Molecular FormulaC20H22O7
SMILESO=C1C2(OC(=C1)/C(=CC1[C@@H]([C@H](C2)OC(=O)/C(=C/C)/C)C(=C)C(=O)O1)/CO)C
XLogP1.100
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count4
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 4 of 9   [TOP]
Compound ID4007
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml1.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedIsogoyazensolide
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight360.121
Molecular FormulaC19H20O7
SMILESO=C1C=C2OC1(C)C[C@H](OC(=O)C(=C)C)C1[C@H](OC(=O)C1=C)[C@H](O)C2=C
XLogP0.628
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count3
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 5 of 9   [TOP]
Compound ID4008
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.1 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedIsocentratherin
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight374.137
Molecular FormulaC20H22O7
SMILESO=C1C=C2OC1(C)C[C@H](OC(=O)/C(=CC)/C)C1[C@H](OC(=O)C1=C)[C@H](O)C2=C
XLogP1.152
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count3
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 6 of 9   [TOP]
Compound ID4009
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.1 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified5-epi-isogoyazensolide
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight360.121
Molecular FormulaC19H20O7
SMILESO=C1C2(C[C@H](OC(=O)C(=C)C)[C@@H]3[C@H](OC(=O)C3=C)[C@@H](O)C(=C)C(=C1)O2)C
XLogP0.628
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count3
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 7 of 9   [TOP]
Compound ID4010
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.1 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified5-epi-isocentratherin
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight374.137
Molecular FormulaC20H22O7
SMILESO=C1C2(C[C@H](OC(=O)/C(=CC)/C)[C@@H]3[C@H](OC(=O)C3=C)[C@@H](O)C(=C)C(=C1)O2)C
XLogP1.152
PSA99.130
H-bond Donor1
H-bond Acceptor7
No. of Rotatable Bond Count3
No. of Rings3
No. of N0
No. of O7
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 8 of 9   [TOP]
Compound ID4011
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC19
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone, Acid,
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight262.121
Molecular FormulaC15H18O4
SMILESC1=C(/CC[C@@H]2C(/C=C(/CC1)C(=O)O)OC(=O)C2=C)C
XLogP2.275
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count1
No. of Rings2
No. of N0
No. of O4
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

                  Record - 9 of 9   [TOP]
Compound ID4072
Compound Structure
DOWNLOAD:
Plant SourceCamchaya calcarea     Common Name:
Source FamilyAsteraceae (Compositae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC168
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Alkene, Phenylpropanoid, Ester, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight194.058
Molecular FormulaC10H10O4
SMILESO=C(OC)/C=C/c1cc(O)c(O)cc1
XLogP1.462
PSA66.760
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count3
No. of Rings1
No. of N0
No. of O4
No. of S0
Reference(s)1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator


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