Structure Database (LMSD)
Common Name
Systematic Name
3-Hexaprenyl-4,5-dihydroxybenzoic acid
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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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