Structure Database (LMSD)

Common Name
Glisoprenin D
Systematic Name
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2E,6E,10E,14E-tetraene-1,19,23,27,31,34,35-heptol
Synonyms
LM ID
LMPR01080068
Formula
Exact Mass
Calculate m/z
736.621705
Status
Active

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)
NWNDDBQOCUDCDV-QYOQUFJESA-N
InChi (Click to copy)
InChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+
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(O)(CCC(O)C(O)(C)C)C)O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 52
Rings
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 838.03
Topological Polar Surface Area 141.61
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 7
logP 11.70
Molar Refractivity 222.82

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