CAS 517-28-2|Natural Black 1|(1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol|Hematoxylin(Hydroxybrazilin)|Hydroxybrazilin|(+)-hematoxylin...

General Information

Structure

Molecular Formula

C₁₆H₁₄O₆

Molecular Mass

302.27876

Exact Mass

302.07903817

Charge

InChI

InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1

InChIKey

WZUVPPKBWHMQCE-XJKSGUPXSA-N

Canonic Smiles

Oc1cc2C[C@@]3([C@H](c2cc1O)c1ccc(c(c1OC3)O)O)O

Isomeric Smiles

[C@]12([C@@H](c3c(OC1)c(c(cc3)O)O)c1c(C2)cc(c(c1)O)O)O

Calculated Properties

JChem

LogD (pH = 7.4)

1.47

LogD (pH = 5.5)

1.47

Log P

1.47

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.28

Polar Surface Area

110.38

Polarizability

29.71

Molar Refractivity

77.48

LOG S

-1.69

Data Source

Names and Identifiers

Synonyms

Natural Black 1Hematoxylin(Hydroxybrazilin)HydroxybrazilinHEMATOXYLINHematoxylinHematoxylin Solution, Mayer’sHematoxylin Solution, Harris ModifiedHematoxylin solution A according to WeigertDelafield 苏木精Delafield’s hematoxylinHematoxylinDelafield 苏木精溶液Hematoxylin monohydrateHematoxylin monohydrateWeigert 苏木精溶液 AHematoxylin Solution, Gill No. 1Hematoxylin solution according to Delafield(6aS,11bR)-6,6a,7,11b-tetrahydroindeno[2,1-c]chromene-3,4,6a,9,10-pentaolHematoxylineHaematoxylin(+)-hematoxylin(+)-haematoxylin(6aS,11bR)-7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentolcis-(+)-7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentolhydroxybrasilinhydroxybrazilin(-)-haematoxylin

Names and Identifiers

Registration numbers

CAS Number

517-28-2

MDL Number

MFCD00078111

PubChem SID

2489538924897406248958792489740524845629248955542485976124895880248456301620379282489740924873646248953882489740724895860248974082489587724895878248953875726955757269596

Color Index Number

75290

Beilstein Number

914019140016885737383764

EC Number

208-237-3

PubChem CID

442514320930

MetaboLights Database

MTBLS1693MTBLS322MTBLS586

SureChEMBL Database

SCHEMBL19654SCHEMBL1747

CHEBI ID

CHEBI:5601CHEBI:51684

KNApSAcK Database

C00002993

CHEMBL

CHEMBL477197CHEMBL1448387

KEGG ID

C09931

BRENDA Database

2.7.10.25.1.1.13.5.1.88

CompTox Database

DTXSID8020678

BKMS React Database

25526

BindingDB Database

81197

BRENDA Ligand Database

25526

Registration numbers

Properties

Pharmacology Properties

rat ... Adora1(29290), Adora2a(25369)

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Selleck Chemicals

S2384

Research Area: Cancer
Biological Activity:
Hematoxylin(Hydroxybrazilin) is a compound that forms strongly colored complexes with certain metal ions, notably Fe(III) and Al(III) salts and a kind of stain in histology. It is extracted from the bark of the logwood tree. Metal-haematein complexes are used to stain cell nuclei prior to examination under a microscope. Structures that stain with iron- or aluminium-haematein are often called basophilic, even though the mechanism of the staining is different from that of staining with basic dyes. Haematoxylin and eosin stain is one of the most commonly used stains in histology. [1]

MP Biomedicals

05209476

MP Biomedicals Rare Chemical collection

Sigma Aldrich

H3136

包装
25, 100 g in glass bottle
Suitability
Certified for use in Weigert′s iron hematoxylin, Mayer′s hemalum, Harris hemalum and in Heidenhain′s technique

GHS116

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

MHS80

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
General description
Used as a counterstain for procedures such as immunohistochemistry or laser microdissection.
Other Notes
1 g/L certified hematoxylin

MHS16

GHS132

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

MHS1

HHS16

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

MHS32

GHS1128

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

MHS128

HHS80

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

HHS32

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

HHS128

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

Molecule Details

References

PubChem Literature

From Data Sources

• http://en.wikipedia.org/wiki/Haematoxylin

References

Bioactivity

PubChem BioAssay

Bioactivity

Registration numbers

CAS Number

517-28-2

MDL Number

MFCD00078111

PubChem SID

2489538924897406248958792489740524845629248955542485976124895880248456301620379282489740924873646248953882489740724895860248974082489587724895878248953875726955757269596

Color Index Number

75290

Beilstein Number

914019140016885737383764

EC Number

208-237-3

PubChem CID

442514320930

MetaboLights Database

MTBLS1693MTBLS322MTBLS586

SureChEMBL Database

SCHEMBL19654SCHEMBL1747

CHEBI ID

CHEBI:5601CHEBI:51684

KNApSAcK Database

C00002993

CHEMBL

CHEMBL477197CHEMBL1448387

KEGG ID

C09931

BRENDA Database

2.7.10.25.1.1.13.5.1.88

CompTox Database

DTXSID8020678

BKMS React Database

25526

BindingDB Database

81197

BRENDA Ligand Database

Molecule Details

S2384

MP Biomedicals Rare Chemical collection

Sigma Aldrich

H3136

包装
25, 100 g in glass bottle
Suitability
Certified for use in Weigert′s iron hematoxylin, Mayer′s hemalum, Harris hemalum and in Heidenhain′s technique

GHS116

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

MHS80

MHS16

GHS132

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

MHS1

HHS16

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

MHS32

GHS1128

Application
General purpose nuclear stain, progressive type. Used with hematoxylin and eosin staining.
Other Notes
2 g/L certified hematoxylin

MHS128

HHS80

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

HHS32

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

HHS128

Application
General purpose nuclear stain, regressive type. Used with hematoxylin and eosin staining.
Other Notes
7 g/L certified hematoxylin

References

PubChem Literature

From Data Sources

• http://en.wikipedia.org/wiki/Haematoxylin

Bioactivity

PubChem BioAssay

Names and Identifiers

Synonyms

Properties

Pharmacology Properties

rat ... Adora1(29290), Adora2a(25369)

Molecule

ID:73008