Structure Database (LMSD)

Common Name
2-Isoprenylemodin
Systematic Name
Synonyms
LM ID
LMPK13040010
Status
Active
Exact Mass
Calculate m/z
338.115425
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)
WQTDARJAYXTHNU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O5/c1-9(2)4-5-11-14(21)8-13-17(19(11)24)20(25)16-12(18(13)23)6-10(3)7-15(16)22/h4,6-8,21-22,24H,5H2,1-3H3
SMILES (Click to copy)
C12C=C(C(C/C=C(\C)/C)=C(O)C=1C(=O)C1=C(C=C(C=C1O)C)C2=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 315.87
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.40
Molar Refractivity 92.62

Admin

Created at
-
Updated at
-