Structure Database (LMSD)
Common Name
Euchrenone b6
Systematic Name
3-(4-Hydroxyphenyl)-8,8-dimethyl-5-hydroxy-10-(3-hydroxy-3-methylbutyl)-4H,8H-benzo[1,2-b:5,4-b']dipyran-4-one
Synonyms
3D model of Euchrenone b6
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
JIXABEPUKFUVOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-24(2,29)11-9-17-22-16(10-12-25(3,4)31-22)20(27)19-21(28)18(13-30-23(17)19)14-5-7-15(26)8-6-14/h5-8,10,12-13,26-27,29H,9,11H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=CC=C(O)C=C3)=COC=1C=2CCC(O)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
387.90
Topological Polar Surface Area
102.20
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
6.23
Molar Refractivity
120.74
Admin
Created at
-
Updated at
13th Aug 2025