Details of the Drug

General Information of Drug (ID: DMAL1CP)

Drug Name
3-methoxy-4-hydroxylonchocarpin
Synonyms Pongachalcone II; 3-methoxy-4-hydroxylonchocarpin; CHEMBL463206; Polyarvin; LMPK12120083
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): 0 Molecular Weight (mw) 352.4
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H20O5
IUPAC Name
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Canonical SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC(=C(C=C3)O)OC)C
InChI
InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-17(23)19(12-13)25-3/h4-12,23-24H,1-3H3/b7-4+
InChIKey
WNUBZQVPFKTBOZ-QPJJXVBHSA-N
Cross-matching ID
PubChem CID
10712965
TTD ID
D0N4YR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ornithine decarboxylase (ODC1) TTUMGNO DCOR_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
Ornithine decarboxylase (ODC1) DTT ODC1 5.20E-35 1.58 2.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 New bioactive flavonoids and stilbenes in cub resin insecticide. J Nat Prod. 1999 Feb;62(2):205-10.