Structure database (LMSD)

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LM IDLMPR02010044
Common Name-
Systematic Name3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid
Synonyms-
Exact Mass
576.4179 (neutral)    Calculate m/z:
FormulaC38H56O4
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
PubChem CID5280776
HMDB IDHMDB0000977
InChIKeyYSZSVGFMAJXGMQ-FRICUITQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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+
SMILESOC(=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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms42Rings1Aromatic Rings1Rotatable Bonds19
 van der Waals
Molecular Volume
651.46Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP11.24Molar
Refractivity
179.71