Structure Database (LMSD)

Common Name
Lepadin D
Systematic Name
5S-(5S-hydroxyoctyl)-2S-methyldecahydroquinolin-3R-ol
Synonyms
LM ID
LMSP01080052
Formula
C18H35NO2
Exact Mass
Calculate m/z
297.266779
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Didemnum sp. (#107395)
Ascidiacea (#7713)
Lepadins D-F: antiplasmodial and antitrypanosomal decahydroquinoline derivatives from the tropical marine tunicate Didemnum sp.,
J Med Chem, 2002
Pubmed ID: 12086492

String Representations

InChiKey (Click to copy)
LNSIIDDYOVTXHK-YQZYXFPUSA-N
InChi (Click to copy)
InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/t13-,14-,15-,16?,17?,18+/m0/s1
SMILES (Click to copy)
C1[C@@H](O)[C@H](C)NC2CCC[C@H](CCCC[C@@H](O)CCC)C12

Other Databases

CHEBI ID
184690
PubChem CID
42608374

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 323.82
Topological Polar Surface Area 52.49
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.38
Molar Refractivity 89.27

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Updated at
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