Structure Database (LMSD)

Common Name
Rolliniastatin-2
Systematic Name
Synonyms
  • Bullatacin
LM ID
LMPK03000011
Status
Active
Exact Mass
Calculate m/z
622.480855
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)
MBABCNBNDNGODA-KIKLSCMKSA-N
InChi (Click to copy)
InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28?,30?,31-,32+,33?,34+,35+,36-/m0/s1
SMILES (Click to copy)

References

Reference
Biochem J. 1994 July 1; 301(Pt 1): 161-167.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Annona rensoniana (#1129537)
Magnoliopsida (#3398)
Natural substances (acetogenins) from the family Annonaceae are powerful inhibitors of mitochondrial NADH dehydrogenase (Complex I).,
Biochem J, 1994
Pubmed ID: 8037664

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 3
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 667.83
Topological Polar Surface Area 111.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 10.15
Molar Refractivity 179.56

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Updated at
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