Details of the Drug

General Information of Drug (ID: DM8LEJ4)

Drug Name

Erythribyssin O

Synonyms

Erythribyssin O; CHEMBL1096406

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

350.4

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H18O5
IUPAC Name: 3,9-dihydroxy-10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde
Canonical SMILES: CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=C(C(=C4)O)C=O)O)C
InChI: InChI=1S/C21H18O5/c1-11(2)3-4-14-17(23)6-5-13-16-10-25-19-8-18(24)12(9-22)7-15(19)21(16)26-20(13)14/h3,5-9,23-24H,4,10H2,1-2H3
InChIKey: AGFXXWXSPAYWMF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Neuraminidase (Influ NA)	TT50QJ3	NRAM_I33A0	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Prenylated pterocarpans as bacterial neuraminidase inhibitors. Bioorg Med Chem. 2010 May 1;18(9):3335-44.