Structure Database (LMSD)

Common Name
clavirin II
Systematic Name
9-oxo-12S-acetoxy-2,3,4,5-tetranor-7E,10Z,14Z-prostatetrienaldehyde-cyclo[8,12]
Synonyms
LM ID
LMFA03120026
Status
Active
Exact Mass
Calculate m/z
290.15181
Formula
Abbrev


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)
GQEGEZIKMJIZMB-HYNJITEOSA-N
InChi (Click to copy)
InChI=1S/C17H22O4/c1-3-4-5-6-7-8-11-17(21-14(2)19)12-9-16(20)15(17)10-13-18/h7-10,12-13H,3-6,11H2,1-2H3/b8-7-,15-10-/t17-/m0/s1
SMILES (Click to copy)
[C@]1(OC(=O)C)(C/C=C\CCCCC)C=CC(=O)/C/1=C/C(=O)[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clavularia viridis (#153213)
Anthozoa (#6101)
Clavirins, a new type of marine oxylipins with growth-inhibitory activity from the Okinawan soft coral, Clavularia viridis,
Tetrahedrom Letts, 1999

Other Databases

CHEBI ID
LIPIDBANK ID
XPR8045
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 309.62
Topological Polar Surface Area 60.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.37
Molar Refractivity 81.20

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Created at
-
Updated at
5th Apr 2022