Structure Database (LMSD)

Common Name
Glisoprenin C
Systematic Name
3,7,11,15,19,23,27,31,35-Nonamethyl-6,7-epoxy-hexatriaconta-2E,10E,14E-triene-1,19,23,27,31,34,35-heptol
Synonyms
  • (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
LM ID
LMPR01080067
Formula
Exact Mass
Calculate m/z
752.61662
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clonostachys rosea (#29856)
Sordariomycetes (#147550)
Glisoprenins C, D and E, new inhibitors of appressorium formation in Magnaporthe grisea, from cultures of Gliocladium roseum. 2. Structure determination.,
J Antibiot (Tokyo), 1998
Pubmed ID: 9544946

String Representations

InChiKey (Click to copy)
RLGZBWXMGCBJNG-FHAYICFZSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
C(/C=C(\C)/CCC1OC1(C)CC/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC(O)C(O)(C)C)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 1
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 837.10
Topological Polar Surface Area 154.14
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 8
logP 11.49
Molar Refractivity 223.36

Admin

Created at
6th Mar 2024
Updated at
6th Mar 2024