Structure Database (LMSD)
Common Name
Glisoprenin A
Systematic Name
3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2E,6E,10E,14E,34-pentaene-1,19,23,27,31-pentol
Synonyms
3D model of Glisoprenin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
DVYSZUSSOIXHOF-VNEVDCACSA-N
InChi (Click to copy)
InChI=1S/C45H82O5/c1-37(2)19-14-28-42(7,47)30-16-32-44(9,49)34-18-35-45(10,50)33-17-31-43(8,48)29-15-26-40(5)24-12-22-38(3)20-11-21-39(4)23-13-25-41(6)27-36-46/h19-20,23-24,27,46-50H,11-18,21-22,25-26,28-36H2,1-10H3/b38-20+,39-23+,40-24+,41-27+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CC/C=C(\C)/C)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gliocladium sp.
(#1955101)
Sordariomycetes
(#147550)
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
J Antibiot (Tokyo), 1992
Pubmed ID:
1473995
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
Aromatic Rings
Rotatable Bonds
29
Van der Waals Molecular Volume
817.81
Topological Polar Surface Area
101.15
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
5
logP
12.97
Molar Refractivity
218.92
Admin
Created at
6th Mar 2024
Updated at
6th Mar 2024