BioPhytMol: A database of Phytomolecules against Mycobacteria

| Home |

Simple Search

Query Builder

Structure Search

Browse |

Similarity

One to One

One to Many

Data Visualization |

Submission |

Page - 1 of 1 Record - 1 of 10 [TOP]

Compound ID

2617

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Kolavenol

PubChem ID

6442554

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alcohol, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

290.261

Molecular Formula

C₂₀H₃₄O

SMILES

OC/C=C(/CC[C@@]1([C@@H]2[C@@](CC[C@H]1C)(C(=CCC2)C)C)C)C

XLogP

7.061

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 2 of 10 [TOP]

Compound ID

2618

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Hardwickiic acid

PubChem ID

479908

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

302.188

Molecular Formula

C₁₉H₂₆O₃

SMILES

OC(=O)C1=CCC[C@@H]2[C@]([C@@H](CC[C@@H]12)C)(CCc1ccoc1)C

XLogP

5.727

PSA

50.440

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 3 of 10 [TOP]

Compound ID

2619

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(+)-3β - Hydroxymanool

PubChem ID

479909

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alcohol, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

306.256

Molecular Formula

C₂₀H₃₄O₂

SMILES

O[C@@H]1C([C@H]2[C@@]([C@H](C(=C)CC2)CC[C@](O)(C)C=C)(CC1)C)(C)C

XLogP

4.737

PSA

40.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 4 of 10 [TOP]

Compound ID

2620

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Monoacetate

PubChem ID

3035155

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Lactone, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

806.445

Molecular Formula

C₄₃H₆₆O₁₄

SMILES

OC12[C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](OC(=O)C)[C@@H](O)C5)C)[C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H](O)C5)C)C3)C)CC4)C)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C

XLogP

4.155

PSA

188.900

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 5 of 10 [TOP]

Compound ID

2621

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Entabietic acid

PubChem ID

479912

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

272.250

Molecular Formula

C₂₀H₃₂

SMILES

[C@@]12([C@@H](C(CCC1)(C)C)CC=C1[C@H]2CCC(=C1)C(C)C)C

XLogP

8.607

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 6 of 10 [TOP]

Compound ID

3977

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium avium

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Kolavenol

PubChem ID

6442554

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alcohol, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

290.261

Molecular Formula

C₂₀H₃₄O

SMILES

OC/C=C(/CC[C@@]1([C@@H]2[C@@](CC[C@H]1C)(C(=CCC2)C)C)C)C

XLogP

7.061

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 7 of 10 [TOP]

Compound ID

3978

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium avium

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Hardwickiic acid

PubChem ID

479908

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

302.188

Molecular Formula

C₁₉H₂₆O₃

SMILES

OC(=O)C1=CCC[C@@H]2[C@]([C@@H](CC[C@@H]12)C)(CCc1ccoc1)C

XLogP

5.727

PSA

50.440

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 8 of 10 [TOP]

Compound ID

3980

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium avium

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Monoacetate

PubChem ID

3035155

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Lactone, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

806.445

Molecular Formula

C₄₃H₆₆O₁₄

SMILES

OC12[C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](OC(=O)C)[C@@H](O)C5)C)[C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H](O)C5)C)C3)C)CC4)C)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C

XLogP

4.155

PSA

188.900

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 9 of 10 [TOP]

Compound ID

3981

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium avium

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Entabietic acid

PubChem ID

479912

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

272.250

Molecular Formula

C₂₀H₃₂

SMILES

[C@@]12([C@@H](C(CCC1)(C)C)CC=C1[C@H]2CCC(=C1)C(C)C)C

XLogP

8.607

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 10 of 10 [TOP]

Compound ID

3979

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium avium

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(+)-3β - Hydroxymanool

PubChem ID

479909

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alcohol, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

306.256

Molecular Formula

C₂₀H₃₄O₂

SMILES

O[C@@H]1C([C@H]2[C@@]([C@H](C(=C)CC2)CC[C@](O)(C)C=C)(CC1)C)(C)C

XLogP

4.737

PSA

40.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Developed by: CSIR- OSDD Unit, Delhi, India and Hosted by: Bioinformatics Centre, Institute of Microbial Technology, Sec-39A, Chandigarh, India.
The website has been tested on the latest version of Google Chrome (34.0.1847.137 m) and Mozilla Firefox (29.0.1)