BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 19 [TOP]

Compound ID	1278
Compound Structure
Plant Source	Borago officinalis Linn. Common Name:Borage
Source Family	Boraginaceae
Origin	Europe, North Africa, North America
Plant Part Used	Herb
Extract	Methanol (19.44 %)
Target Bacteria	Mycobacterium aurum
Assay / Test Done	Broth Microdilution Method (BMM)
Positive Control Used (conc.)	Streptomycin (IC50 value 1.14)
Inhibition [%]
Activity [MIC] µg/ml	> 500 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Used in pulmonary diseases, consumption and to treat fever
PubMed ID [Source Literature]	11744296
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Newton SM, Lau C, Gurcha SS, Besra GS, Wright CW.The evaluation of forty-three plant species for in vitro antimycobacterial activities; isolation of active constituents from Psoralea corylifolia and Sanguinaria canadensis.J Ethnopharmacol. 2002 Jan;79(1):57-67
Curator

Record - 2 of 19 [TOP]

Compound ID	1279
Compound Structure
Plant Source	Borago officinalis Linn. Common Name:Borage
Source Family	Boraginaceae
Origin	Europe, North Africa, North America
Plant Part Used	Herb
Extract	Methanol (19.44 %)
Target Bacteria	Mycobacterium smegmatis
Assay / Test Done	Broth Microdilution Method (BMM)
Positive Control Used (conc.)	Streptomycin (IC50 value 0.17)
Inhibition [%]
Activity [MIC] µg/ml	> 500 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Used in pulmonary diseases, consumption and to treat fever
PubMed ID [Source Literature]	11744296
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Newton SM, Lau C, Gurcha SS, Besra GS, Wright CW.The evaluation of forty-three plant species for in vitro antimycobacterial activities; isolation of active constituents from Psoralea corylifolia and Sanguinaria canadensis.J Ethnopharmacol. 2002 Jan;79(1):57-67
Curator

Record - 3 of 19 [TOP]

Compound ID	1285
Compound Structure
Plant Source	Bourreria succulenta jacq. Common Name:Bodywood
Source Family	Boraginaceae
Origin	Puerto Rico
Plant Part Used	Stem
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Middlebrook 7H9 Broth using BACTEC 460 System
Positive Control Used (conc.)	Rifampin
Inhibition [%]	67 %
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	11746852
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Antoun MD, Ramos Z, Vazques J, Oquendo I, Proctor GR, Gerena L, Franzblau SG.Evaluation of the flora of Puerto Rico for in vitro antiplasmodial and antimycobacterial activities.Phytother Res. 2001 Nov;15(7):638-42 2) http://plants.usda.gov/java/profile?symbol=BOSU2
Curator

Record - 4 of 19 [TOP]

Compound ID	1535
Compound Structure
Plant Source	Cordia boissieri Common Name:Anacahuita, Mexican Olive, Texas Olive, Texas Wild Olive, White Geiger
Source Family	Boraginaceae
Origin	Mexico
Plant Part Used	Flower
Extract	Hexane, methanol
Target Bacteria
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	> 200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cough, used to alleviate rheumatism and pulmonary illness
PubMed ID [Source Literature]	13680821
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Jimenez-Arellanes A, Meckes M, Ramirez R, Torres J, Luna-Herrera J. Activity against multidrug-resistant Mycobacterium tuberculosis in Mexican plants used to treat respiratory diseases. Phytother Res. 2003 Sep;17(8):903-8 2) Lara, Teresa Rojas; Robert E. Paull (2008). Jules Janick; Robert E. Paull. ed. The Encyclopedia of Fruit & Nuts. CABI. p. 187 3) "Cordia boissieri". Germplasm Resources Information Network. United States Department of Agriculture. 2005-11-08. Retrieved 2009-12-09.
Curator

Record - 5 of 19 [TOP]

Compound ID	1536
Compound Structure
Plant Source	Cordia collococca L. Common Name:
Source Family	Boraginaceae
Origin	Peru
Plant Part Used	Bark
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	< 50 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 6 of 19 [TOP]

Compound ID	1537
Compound Structure
Plant Source	Cordia nodosa Lam. Common Name:
Source Family	Boraginaceae
Origin	Peru
Plant Part Used	Bark
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	80 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 7 of 19 [TOP]

Compound ID	1538
Compound Structure
Plant Source	Cordia sulcata DC. Common Name:Mucilage Manjack
Source Family	Boraginaceae
Origin	Puerto Rico
Plant Part Used	Stem
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Middlebrook 7H9 Broth using BACTEC 460 System
Positive Control Used (conc.)	Rifampin
Inhibition [%]	69 %
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	11746852
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Antoun MD, Ramos Z, Vazques J, Oquendo I, Proctor GR, Gerena L, Franzblau SG.Evaluation of the flora of Puerto Rico for in vitro antiplasmodial and antimycobacterial activities.Phytother Res. 2001 Nov;15(7):638-42 2) http://plants.usda.gov/java/profile?symbol=COSU3
Curator

Record - 8 of 19 [TOP]

Compound ID	1861
Compound Structure
Plant Source	Heliotropium indicum L Common Name:
Source Family	Boraginaceae
Origin	Peru
Plant Part Used	Whole plant
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	< 50 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 9 of 19 [TOP]

Compound ID	2668
Compound Structure
Plant Source	Symphytum orientale L. Common Name:White Comfrey
Source Family	Boraginaceae
Origin	Turkey
Plant Part Used	Aerial
Extract	Ethanol (70 %)
Target Bacteria	Mycobacterium tuberculosis H37Ra
Assay / Test Done	Microplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)	Rifampin (0.0047 – 0.0095 µg/ml), Isoniazid (0.05 – 0.1 µg/ml), Kanamycin (2.5 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	15507348
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Tosun F, Kizilay CA, Sener B, Vural M, Palittapongarnpim P.Antimycobacterial screening of some Turkish plants.J Ethnopharmacol. 2004 Dec;95(2-3):273-5 2) http://luirig.altervista.org/schedeit/pz/symphytum_orientale.htm
Curator

Record - 10 of 19 [TOP]

Compound ID	2735
Compound Structure
Plant Source	Tournefortia hirsutissima L. Common Name:Chiggery Grapes
Source Family	Boraginaceae
Origin	Puerto Rico
Plant Part Used	Stem
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Middlebrook 7H9 Broth using BACTEC 460 System
Positive Control Used (conc.)	Rifampin
Inhibition [%]	12 %
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	11746852
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Antoun MD, Ramos Z, Vazques J, Oquendo I, Proctor GR, Gerena L, Franzblau SG.Evaluation of the flora of Puerto Rico for in vitro antiplasmodial and antimycobacterial activities.Phytother Res. 2001 Nov;15(7):638-42 2) http://plants.usda.gov/java/profile?symbol=TOHI
Curator

Record - 11 of 19 [TOP]

Compound ID	2736
Compound Structure
Plant Source	Tournefortia setacea Killip Common Name:
Source Family	Boraginaceae
Origin	Peru
Plant Part Used	Stem
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) radiometric assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	< 50 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 12 of 19 [TOP]

Compound ID

4075

Compound Structure

Plant Source

Ehretia longiflora Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ehretiquinone

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzopyran, Quinone, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

348.136

Molecular Formula

C₂₂H₂₀O₄

SMILES

O=C1C=CC(=O)[C@@]2(/C=C/C(=C)C)[C@H]3c4cc(O)ccc4O[C@@]12CC(=C3)C

XLogP

2.676

PSA

63.600

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) 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 - 13 of 19 [TOP]

Compound ID

4092

Compound Structure

Plant Source

Cordia globifera Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

6.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Globiferin

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Meroterpene, Quinone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

242.131

Molecular Formula

C₁₆H₁₈O₂

SMILES

O=C1C=CC(=O)C2=C1C/C(=CCC/C(=CC2)/C)/C

XLogP

2.468

PSA

34.140

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)

Curator

Record - 14 of 19 [TOP]

Compound ID

4093

Compound Structure

Plant Source

Cordia globifera Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cordiachrome C

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Alkene, Quinone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

242.131

Molecular Formula

C₁₆H₁₈O₂

SMILES

C=C(C)[C@@H]1[C@@](C=C)(C)CC2=C(C1)C(=O)C=CC2=O

XLogP

2.610

PSA

34.140

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)

Curator

Record - 15 of 19 [TOP]

Compound ID

4094

Compound Structure

Plant Source

Cordia globifera Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cordiachrome B

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Quinone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

242.131

Molecular Formula

C₁₆H₁₈O₂

SMILES

C=C1CCC[C@]2([C@@H]1CC1=C(C2)C(=O)C=CC1=O)C

XLogP

2.729

PSA

34.140

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)

Curator

Record - 16 of 19 [TOP]

Compound ID

4120

Compound Structure

Plant Source

Ehretia longiflora Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

30 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC243

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Ether, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

272.141

Molecular Formula

C₁₇H₂₀O₃

SMILES

OC(C(O)Cc1ccccc1)Cc1ccc(OC)cc1

XLogP

4.743

PSA

49.690

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)

Curator

Record - 17 of 19 [TOP]

Compound ID

4123

Compound Structure

Plant Source

Cordia globifera Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Alliodorin

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

260.141

Molecular Formula

C₁₆H₂₀O₃

SMILES

Oc1ccc(O)cc1C/C=C(C)/CC/C=C(C)/C=O

XLogP

2.788

PSA

57.530

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)

Curator

Record - 18 of 19 [TOP]

Compound ID

4124

Compound Structure

Plant Source

Cordia globifera Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Elaeagin

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Benzopyran, Prenylated, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

258.126

Molecular Formula

C₁₆H₁₈O₃

SMILES

C/C(=CCCC1(C)Oc2ccc(O)cc2C=C1)/C=O

XLogP

2.612

PSA

46.530

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)

Curator

Record - 19 of 19 [TOP]

Compound ID

4125

Compound Structure

Plant Source

Cordia globifera Common Name:

Source Family

Boraginaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cordiachromene

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Benzopyran, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

230.131

Molecular Formula

C₁₅H₁₈O₂

SMILES

CC(=CCCC1Oc2ccc(O)cc2C=C1)C

XLogP

3.876

PSA

29.460

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)

Curator

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