Details of the Drug

General Information of Drug (ID: DM5WNH8)

Drug Name
Mahureone D
Synonyms Mahureone D
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): 3 Molecular Weight (mw) 528.7
Logarithm of the Partition Coefficient (xlogp) 8.1
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C32H48O6
IUPAC Name
3-[4-hydroxy-7,7-dimethyl-3-(3-methylbutanoyl)-4a,6-bis(3-methylbut-2-enyl)-2-oxo-5,6-dihydrochromen-8-yl]hexanoic acid
Canonical SMILES
CCCC(CC(=O)O)C1=C2C(CC(C1(C)C)CC=C(C)C)(C(=C(C(=O)O2)C(=O)CC(C)C)O)CC=C(C)C
InChI
InChI=1S/C32H48O6/c1-10-11-22(17-25(34)35)27-29-32(15-14-20(4)5,18-23(31(27,8)9)13-12-19(2)3)28(36)26(30(37)38-29)24(33)16-21(6)7/h12,14,21-23,36H,10-11,13,15-18H2,1-9H3,(H,34,35)
InChIKey
MEQHOADCAUKYIE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54708912
TTD ID
D0MG5N
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30) TTIU7X1 DPOL_HHV11 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Acylphloroglucinol derivatives from Mahurea palustris. J Nat Prod. 2005 Jul;68(7):979-84.