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Glisoprenin B

CAT: 0804-HY-N14573Size: 1 EachDry Ice: NoHazardous: No
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Description
Glisoprenin B is a cholesterol acyltransferase (ACAT) inhibitor[1].
CAS Number
144376-63-6
UNSPSC
12352005
Target
Acyltransferase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Infection
Smiles
OC/C=C(CC/C=C(CC/C=C(CC/C=C(CCCC(C)(CCCC(C)(CCCC(C)(CCCC1(C)OC(C(C)(C)O)CC1)O)O)O)\C)\C)\C)\C
Molecular Formula
C45H82O6
Molecular Weight
719.13
References & Citations
[1]H Nishida, et al. Glisoprenins, new inhibitors of acyl-CoA: cholesterol acyltransferase produced by Gliocladium sp. FO-1513. II. Structure elucidation of glisoprenins A and B. J Antibiot (Tokyo) . 1992 Oct;45 (10) :1669-76.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Glisoprenin B

Glisoprenin B is a polyprenol.

CAS Number144376-63-6
PubChem CID6438769
IUPAC Name(2E,6E,10E,14E)-30-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23,27-heptamethyltriaconta-2,6,10,14-tetraene-1,19,23,27-tetrol
Molecular FormulaC45H82O6
Molecular Weight719.1
XLogP9.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count27
Heavy Atom Count51
Formal Charge0
Complexity1120
SMILES
C/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC1(CCC(O1)C(C)(C)O)C)O)O)O
InChI
InChI=1S/C45H82O6/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,48)28-15-29-43(8,49)30-16-31-44(9,50)32-17-33-45(10)34-25-40(51-45)41(5,6)47/h18,21-22,26,40,46-50H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+
InChIKey
JVMGRPXMVYGAQN-QYOQUFJESA-N
Chemical Structure
2D Structure
2D structure of Glisoprenin B
CAS: 144376-63-6
CID: 6438769
Formula: C45H82O6
MW: 719.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight719.1
XLogP39.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count27
Exact Mass718.61114033
Monoisotopic Mass718.61114033
Topological Polar Surface Area110 Ų
Heavy Atom Count51
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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