Structure Database (LMSD)

Common Name
Systematic Name
3-Hexaprenyl-4,5-dihydroxybenzoic acid
Synonyms
LM ID
LMPR02010043
Status
Active
Exact Mass
Calculate m/z
562.40221
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)
VEPICJBQCOUQPI-IRVXXIIISA-N
InChi (Click to copy)
InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+
SMILES (Click to copy)
OC(=O)C1C=C(C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)\C)\C)\C)\C)\C)\C)C(O)=C(O)C=1

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings 1
Rotatable Bonds 18
Van der Waals Molecular Volume 634.16
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 10.94
Molar Refractivity 174.82

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Created at
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Updated at
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