Structure Database (LMSD)

Systematic Name
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
Synonyms
LM ID
LMPR02010044
Status
Active
Exact Mass
Calculate m/z
576.41786
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)
YSZSVGFMAJXGMQ-FRICUITQSA-N
InChi (Click to copy)
InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+
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(OC)C=1

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 1
Aromatic Rings 1
Rotatable Bonds 19
Van der Waals Molecular Volume 651.46
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 11.24
Molar Refractivity 179.71

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Created at
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Updated at
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