Structure Database (LMSD)
Systematic Name
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic 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)
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
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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