BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 16 [TOP]

Compound ID

3074

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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) Appendino G, Mercalli E, Fuzzati N, Arnoldi L, Stavri M, Gibbons S, Ballero M, Maxia A.Antimycobacterial coumarins from the sardinian giant fennel (Ferula communis).J Nat Prod. 2004 Dec;67(12):2108-10

Curator

Vsheeba, vikramjitmandal

Record - 2 of 16 [TOP]

Compound ID

3075

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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

Vsheeba, vikramjitmandal

Record - 3 of 16 [TOP]

Compound ID

3076

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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

Vsheeba, vikramjitmandal

Record - 4 of 16 [TOP]

Compound ID

3077

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

0.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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

Vsheeba, vikramjitmandal

Record - 5 of 16 [TOP]

Compound ID

3078

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 6 of 16 [TOP]

Compound ID

3079

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 7 of 16 [TOP]

Compound ID

3080

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 8 of 16 [TOP]

Compound ID

3081

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 9 of 16 [TOP]

Compound ID

3082

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

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

Vikramjitmandal

Record - 10 of 16 [TOP]

Compound ID

3083

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

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

Vikramjitmandal

Record - 11 of 16 [TOP]

Compound ID

3084

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

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

Vikramjitmandal

Record - 12 of 16 [TOP]

Compound ID

3085

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

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

Vikramjitmandal

Record - 13 of 16 [TOP]

Compound ID

3086

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

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)

Curator

Vikramjitmandal

Record - 14 of 16 [TOP]

Compound ID

3087

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

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)

Curator

Vikramjitmandal

Record - 15 of 16 [TOP]

Compound ID

3088

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

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)

Curator

Vikramjitmandal

Record - 16 of 16 [TOP]

Compound ID

3089

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

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)

Curator

Vikramjitmandal

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