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ML-236A

CAT: 0013-GTR19210886-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210886-01Size:25 mg
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Description
ML-236A is a small molecule inhibitor of cholesterol biosynthesis. It is widely used in biochemical research to study lipid metabolism and has been employed in both in vitro enzyme assays and in vivo models of hypercholesterolemia.
CAS Number
58889-19-3
Smiles
C (C[C@@H]1C[C@@H] (O) CC (=O) O1) [C@@H]2[C@@]3 (C (C=C[C@@H]2C) =CCC[C@@H]3O) [H]
Molecular Formula
C18H26O4
Molecular Weight
306.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Compactin diol lactone

Compactin diol lactone is a carbobicyclic compound that is ML-236C substituted by a hydroxy group at position 8S. It is a fungal metabolite isolated from Penicillium citrinum and exhibits anticholesteremic activity. It has a role as an antiatherosclerotic agent, an antimicrobial agent, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, an antilipemic drug, an anticholesteremic drug and a fungal metabolite. It is a member of hexahydronaphthalenes, a polyketide, a secondary alcohol, a carbobicyclic compound and a member of 2-pyranones. It is functionally related to a ML-236C.

CAS Number58889-19-3
PubChem CID173651
IUPAC Name(4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
Molecular FormulaC18H26O4
Molecular Weight306.4
XLogP1.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity481
SMILES
C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)O
InChI
InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14+,15-,16-,18-/m0/s1
InChIKey
WWSNTLOVYSRDEL-DZSDEGEFSA-N
Chemical Structure
2D Structure
2D structure of Compactin diol lactone
CAS: 58889-19-3
CID: 173651
Formula: C18H26O4
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass306.18310931
Monoisotopic Mass306.18310931
Topological Polar Surface Area66.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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