Structure Database (LMSD)

Common Name
Rolliniastatin-1
Systematic Name
Synonyms
LM ID
LMPK03000010
Formula
C37H66O7
Exact Mass
Calculate m/z
622.480855
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

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

String Representations

InChiKey (Click to copy)
MBABCNBNDNGODA-CHDRXMHHSA-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)

Other Databases

PubChem CID
42607501

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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