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(+)-TAXIFOLIN

Compound

Name and Classification

ID: CHEMBL66

Name: (+)-TAXIFOLIN

Max Phase:

Preclinical Learn more

Molecular Formula: C15H12O7

Molecular Weight: 304.25

Molecule Type: Small molecule

Synonyms and Trade Names:

(+)-TAXIFOLIN

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Scientific Literature PubChem BioAssays SARS-CoV-2 Screening Data CO-ADD Antimicrobial Screening Fraunhofer Institute HDAC6 screening

Alternative Forms

Alternative forms of compound CHEMBL66

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Parent:

CHEMBL66

(+)-TAXIFOLIN

Similar Compounds

Compounds similar to CHEMBL66

Compounds with at least 85% similarity.

Browse All REST Service Call

CHEMBL1492383

Similarity: 100.00

CHEMBL221328

Similarity: 100.00

CHEMBL209462

Similarity: 100.00

CHEMBL337309

TAXIFOLIN
Similarity: 100.00

1 - 4 out of 5

Activity Charts

Bioactivity Summary

Explore all related Activities

Total

274

Activity

Inhibition

IC50

Potency

EC50

MIC

MBC

pKi(uM)

Drug degradation

IC30

Imax

Kis

Ratio Ki

Solubility

Therapeutic index

CC50

Other

Assay Summary

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Total

259

F - Functional

B - Binding

A - ADME

P - Physicochemical

U - Unassigned

T - Toxicity

Target Summary

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Total

105

N/A

Enzyme

Membrane receptor

Epigenetic regulator

Transcription factor

Unclassified protein

Transporter

Other cytosolic protein

Literature

Histogram Settings

Interval Size (1)

Total

Journal:

J Nat Prod

Bioorg Med Chem

Bioorg Med Chem Lett

Eur J Med Chem

J Med Chem

N/A

Med Chem Res

Medchemcomm

RSC Med Chem

Items with no Year (2)

The table below displays ChEMBL targets which are predicted to interact with (+)-TAXIFOLIN (CHEMBL66). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not (+)-TAXIFOLIN (CHEMBL66) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

Target	Target Pref. Name	Confidence 70%	Confidence 80%	Confidence 90%	Activity Threshold
CHEMBL2902	Dihydrofolate reductase	inactive	inactive	inactive	6
CHEMBL2725	Beta-lactamase	active	active	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	empty	empty	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	inactive	inactive	inactive	6

Calculated Properties

Molecular Weight:

304.25

Molecular Weight (Monoisotopic):

304.0583

AlogP:

1.19

#Rotatable Bonds:

Polar Surface Area:

127.45

Molecular Species:

NEUTRAL

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

7.74

CX Basic pKa:

CX LogP:

1.82

CX LogD:

1.65

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.50

Np Likeness Score:

2.30

Structural Alerts

Alert Set	Priority	Alerts
BMS	7	Alert ID: 81060562 Alert Name: flavanoid 1 1 out of 1
Dundee	4	Alert ID: 79662035 Alert Name: catechol 1 1 out of 1
MLSMR	3	Alert ID: 81522980 Alert Name: Ketone 1 1 out of 1