OpenMolDB

xanthon-3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C54	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-3]	2.65		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthon-4

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C55	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-4]	2.65		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthon-5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C56	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-5]	2.25		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthon-6

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C57	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-6]	2.82		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthon-7

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C58	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-7]	0.87		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthon-8

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C59	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-8]	2.57		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthon-9

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C60	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthon-9]	2.59		10.0	25.0	Capillary electrophoresis	Huwei Liu 2003

xanthone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
196.20	1	0	2.95				SF_C584	None		Not checked

SMILES: O=C1c2ccccc2Oc3ccccc13

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[xanthone]	3.04	2.30	7.0	25.0	Induced circular dichroism	B. Mayer 1999
[b-Cyclodextrin](1).[xanthone]	3.04	2.30			spectroscopy	Cornelia Bohne 2001
[b-Cyclodextrin](1).[xanthone]	1.78	1.00		25.0	absorption spectroscopy	Cornelia Bohne 2001

xanthone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
196.20	1	0	2.95				JN_467	None		Not checked

SMILES: O=C1c2ccccc2Oc3ccccc13

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[ethyl ester of mono-2-O-(2-ethanoic acid)-BCD](1).[xanthone]	3.23	2.45	20.0	fluorescence spectroscopy	Cornelia Bohne 2001
[ethyl ester of mono-2-O-(2-ethanoic acid)-BCD](1).[xanthone]	2.28	1.30	25.0	absorption spectroscopy	Cornelia Bohne 2001
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[xanthone]	3.48	2.30	20.0	fluorescence spectroscopy	Cornelia Bohne 2001
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[xanthone]	1.56	0.60	25.0	absorption spectroscopy	Cornelia Bohne 2001
[mono-2-O-(2-ethanoic acid)-BCD](1).[xanthone]	3.07	1.90	20.0	fluorescence spectroscopy	Cornelia Bohne 2001
[mono-2-O-(2-ethanoic acid)-BCD](1).[xanthone]	1.70	1.30	25.0	absorption spectroscopy	Cornelia Bohne 2001

zinc diethyldithiocarbamate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
361.92	4	0	2.32				SF_C1678	None		Not checked

SMILES: [Zn++].CCN(CC)C([S-])=S.CCN(CC)C([S-])=S

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[zinc diethyldithiocarbamate]	3.54		7.0	25.0	HPLC-method	Siling Wang 2004

{(+)-(3S,4R)-3-ethyl-4-[(1-methyl.5-imidazolyl)-metyl]-tetrahydrofuran-2-on}

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1001	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[{(+)-(3S,4R)-3-ethyl-4-[(1-methyl.5-imidazolyl)-metyl]-tetrahydrofuran-2-on}]	2.02	0.03	7.0	25.0	Potentiometry	Lajos Barcza 2006
[b-Cyclodextrin](1).[{(+)-(3S,4R)-3-ethyl-4-[(1-methyl.5-imidazolyl)-metyl]-tetrahydrofuran-2-on}]	1.98	0.07	7.0	25.0	Potentiometry	Lajos Barcza 2006
[g-Cyclodextrin](1).[{(+)-(3S,4R)-3-ethyl-4-[(1-methyl.5-imidazolyl)-metyl]-tetrahydrofuran-2-on}]	1.95	0.04	7.0	25.0	Potentiometry	Lajos Barcza 2006

{(+)-(3S,4R)-3-ethyl-4-[(1-methyl.5-imidazolyl)-metyl]-tetrahydrofuran-2-on}

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1001_p	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

{DL-endo-(-hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester}

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C999	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[{DL-endo-(-hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester}]	3.30	0.10	7.0	25.0	Potentiometry	Lajos Barcza 2006

{DL-endo-(-hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester}

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C999_p	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

α-asarone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
208.25	3	0	2.75				SF_C841	None		Not checked

SMILES: COc1cc(OC)c(/C=C/C)cc1OC

Supramolecules

Name	log K	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[α-asarone]	2.88	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[b-Cyclodextrin](1).[α-asarone]	3.11	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[g-Cyclodextrin](1).[α-asarone]	3.31	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(2-aminoethyleneamino)-6-deoxy]-β-cyclodextrin](1).[α-asarone]	2.95	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003
[mono[6-(5-amino-3-azapentylamino)-6-deoxy]-β-cyclodextrin](1).[α-asarone]	2.88	7.2	25.0	Fluorescence spectroscopy	Yu Liu 2003