Structure Database (LMSD)

Common Name
Annonamuricin D
Systematic Name
Synonyms
LM ID
LMPK03000057
Status
Active
Exact Mass
Calculate m/z
596.465205
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SZFHVTSTVQGVKY-DFXHZVIRSA-N
InChi (Click to copy)
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-13-16-19-31(38)33-23-24-34(42-33)32(39)20-17-14-11-12-15-18-29(36)21-22-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29?,30-,31-,32-,33-,34-/m0/s1
SMILES (Click to copy)
C(CCC(O)CC[C@H](O)CC1C(O[C@@H](C)C=1)=O)CCCC[C@H](O)[C@@H]1CC[C@@H]([C@H](CCCCCCCCCCCC)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Annona muricata (#13337)
Magnoliopsida (#3398)
Novel Annonaceous acetogenins from Graviola (Annona muricata) fruits with strong anti-proliferative activity.,
Tetrahedron Letts, 2017
Pubmed ID: 31798193

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 645.59
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 9.07
Molar Refractivity 171.77

Admin

Created at
9th Jun 2020
Updated at
9th Jun 2020