Structure Database (LMSD)

OH O OH OH O O
Common Name
Muricin-H
Systematic Name
Synonyms
LM ID
LMPK03000076
Formula
C35H64O6
Exact Mass
Calculate m/z
580.47029
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Annonaceae acetogenins [PK03]

String Representations

InChiKey (Click to copy)
LZWAOCORLSBLAU-NNYZDBJVSA-N
InChi (Click to copy)
InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31?,32?,33+,34+/m0/s1
SMILES (Click to copy)
C1(CCCCCCCCCCCC[C@@H]2O[C@@H]([C@H](O)CCCCC(O)C(O)CCCCCCC)CC2)C(=O)O[C@@H](C)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Annona muricata (#13337)
Magnoliopsida (#3398)
New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata.,
J Nat Prod, 2002
Pubmed ID: 11975482

Other Databases

CHEBI ID
176140
PubChem CID
10076949

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 2
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 636.80
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 9.81
Molar Refractivity 169.87

Admin

Created at
17th Jun 2020
Updated at
17th Jun 2020