Details of the Drug

General Information of Drug (ID: DMEV2AL)

Drug Name
KAZINOL S
Synonyms CHEMBL469113; KAZINOL S; BDBM50254431; 5''-(2-methylbut-3-en-2-yl)-6''''-(3-methylbut-2-enyl)-5''''-(2,3-epoxy-3-methylbytyl)-2'',4'',3'''',4''''-tetrahydroxy diphenylpropane
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 480.6
Logarithm of the Partition Coefficient (xlogp) 7.7
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C30H40O5
IUPAC Name
5-[3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]propyl]-3-[(3,3-dimethyloxiran-2-yl)methyl]-4-(3-methylbut-2-enyl)benzene-1,2-diol
Canonical SMILES
CC(=CCC1=C(C(=C(C=C1CCCC2=CC(=C(C=C2O)O)C(C)(C)C=C)O)O)CC3C(O3)(C)C)C
InChI
InChI=1S/C30H40O5/c1-8-29(4,5)23-14-20(24(31)17-25(23)32)11-9-10-19-15-26(33)28(34)22(16-27-30(6,7)35-27)21(19)13-12-18(2)3/h8,12,14-15,17,27,31-34H,1,9-11,13,16H2,2-7H3
InChIKey
YTBAFGRFSDPCBF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44569902
TTD ID
D02UUK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosinase (TYR) TTULVH8 TYRO_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosinase (TYR) DTT TYR 6.68E-04 2.54 1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Tyrosinase inhibitory effects of 1,3-diphenylpropanes from Broussonetia kazinoki. Bioorg Med Chem. 2009 Jan 1;17(1):35-41.