Structure Database (LMSD)

Common Name
Virodhamine
Systematic Name
2-aminoethyl-5Z,8Z,11Z,14Z-eicosatetraenoate
Synonyms
LM ID
LMFA00000014
Status
Active
Exact Mass
Calculate m/z
347.282429
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)
DLHLOYYQQGSXCC-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(OCCN)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

References

Reference
Characterization of a novel endocannabinoid, virodhamine, with antagonist activity at the CB1 receptor.
J Pharmacol Exp Ther, 2002
DOI: 10.1124/jpet.301.3.1020
PMID: 12023533

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Characterization of a novel endocannabinoid, virodhamine, with antagonist activity at the CB1 receptor.,
J Pharmacol Exp Ther, 2002
Pubmed ID: 12023533

Other Databases

Wikipedia
HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 404.54
Topological Polar Surface Area 52.32
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.20
Molar Refractivity 109.40

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Created at
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Updated at
9th Dec 2020