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Hydrolapachol

CAT: 0013-GTR19210924-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210924-03Size:100 mg
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Description
Hydrolapachol is a potent and selective small molecule inhibitor of Schistosoma mansoni dihydroorotate dehydrogenase (SmDHODH) . It is a valuable research tool for studying schistosome metabolism and has shown anti-parasitic activity in vitro, supporting investigations into novel treatments for schistosomiasis.
CAS Number
3343-38-2
Smiles
O=C1C=2C (C (=O) C (O) =C1CCC (C) C) =CC=CC2
Molecular Formula
C15H16O3
Molecular Weight
244.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydrolapachol
CAS Number3343-38-2
PubChem CID76864
IUPAC Name4-hydroxy-3-(3-methylbutyl)naphthalene-1,2-dione
Molecular FormulaC15H16O3
Molecular Weight244.28
XLogP3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity393
SMILES
CC(C)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O
InChI
InChI=1S/C15H16O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-6,9,16H,7-8H2,1-2H3
InChIKey
QRPDDFAMKSERCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydrolapachol
CAS: 3343-38-2
CID: 76864
Formula: C15H16O3
MW: 244.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.28
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.109944368
Monoisotopic Mass244.109944368
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity393
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5811968Hydrolapachol

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