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Glisoprenin C

CAT: 0804-HY-N14574Size: 1 EachDry Ice: NoHazardous: No
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Description
Glisoprenin C is a cholesterol acyltransferase (ACAT) inhibitor, and it can inhibit the formation of Appressorium on the hydrophobic surface of Magnaporthegrisea[1].
CAS Number
205594-88-3
UNSPSC
12352211
Target
Acyltransferase
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Infection
Smiles
CC(C)(O)C(O)CCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CCC1(C(O1)CC/C(C)=C/CO)C
Molecular Formula
C45H84O8
Molecular Weight
753.14
References & Citations
[1]E Thines, et al. Glisoprenins C, D and E, new inhibitors of appressorium formation in Magnaporthe grisea, from cultures of Gliocladium roseum. 1. Production and biological activities. J Antibiot (Tokyo) . 1998 Feb;51 (2) :117-22.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Glisoprenin C

Glisoprenin C is a polyterpenoid.

CAS Number205594-88-3
PubChem CID10842776
IUPAC Name(22E,26E)-29-[3-[(E)-5-hydroxy-3-methylpent-3-enyl]-2-methyloxiran-2-yl]-2,6,10,14,18,22,26-heptamethylnonacosa-22,26-diene-2,3,6,10,14,18-hexol
Molecular FormulaC45H84O8
Molecular Weight753.1
XLogP7.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count30
Heavy Atom Count53
Formal Charge0
Complexity1150
SMILES
C/C(=C\CC/C(=C/CCC1(C(O1)CC/C(=C/CO)/C)C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC(C(C)(C)O)O)O)O)O)O
InChI
InChI=1S/C45H84O8/c1-35(17-11-18-36(2)20-13-32-45(10)39(53-45)22-21-37(3)24-34-46)19-12-25-41(6,49)26-14-27-42(7,50)28-15-29-43(8,51)30-16-31-44(9,52)33-23-38(47)40(4,5)48/h17,20,24,38-39,46-52H,11-16,18-19,21-23,25-34H2,1-10H3/b35-17+,36-20+,37-24+
InChIKey
RLGZBWXMGCBJNG-FHAYICFZSA-N
Chemical Structure
2D Structure
2D structure of Glisoprenin C
CAS: 205594-88-3
CID: 10842776
Formula: C45H84O8
MW: 753.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight753.1
XLogP37.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count30
Exact Mass752.61661963
Monoisotopic Mass752.61661963
Topological Polar Surface Area154 Ų
Heavy Atom Count53
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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