化合物信息

ID:73008

基本信息

化学结构

分子式

C₁₆H₁₄O₆

分子量

302.27876

精确质量

302.07903817

电荷

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

计算属性

JChem

LogD (pH = 7.4)

1.47

LogD (pH = 5.5)

1.47

Log P

1.47

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

9.28

极化表面积

110.38

极化性

29.71

摩尔折射率

77.48

LOG S

-1.69

数据来源

学术数据

数据来源

名称和标识

别名

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

IUPAC标准名

(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 (1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12(17),13,15-hexaene-5,6,10,14,15-pentol (1R,10S)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12,14,16-hexaene-5,6,10,14,15-pentol (1R,10S)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol (1R,10S)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol (1S,10R)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol

IUPAC传统名

(+)-hematoxylin (1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12(17),13,15-hexaene-5,6,10,14,15-pentol (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 (1S,10R)-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

名称和标识

数据登录号

CAS号

517-28-2

MDL号

MFCD00078111

PubChem SID

2489538924897406248958792489740524845629248955542485976124895880248456301620379282489740924873646248953882489740724895860248974082489587724895878248953875726955757269596

Color Index Number

75290

Beilstein号

914019140016885737383764

EC号

208-237-3

PubChem CID

442514320930

MetaboLights数据库

MTBLS1693MTBLS322MTBLS586

SureChEMBL数据库

SCHEMBL19654SCHEMBL1747

CHEBI ID

CHEBI:5601CHEBI:51684

KNApSAcK数据库

C00002993

CHEMBL

CHEMBL477197CHEMBL1448387

KEGG ID

C09931

BRENDA数据库

2.7.10.25.1.1.13.5.1.88

CompTox数据库

BKMS React数据库

BindingDB数据库

BRENDA Ligand数据库

数据登录号

化合物性质

产品相关信息

Free Base

下载链接

certified by the Biological Stain Commission

for microscopy

for microscopy (Hist.)

indicator (pH 5.0-6.0)

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

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

MHS32

GHS132

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

GHS1128

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

MHS1

HHS32

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

HHS16

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

描述信息

参考文献

PubChem文献

数据源提供

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

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性

• RDKit

• JChem

数据来源

• 产品目录

• 学术数据

名称和标识

• 别名

• IUPAC标准名

• IUPAC传统名

数据登录号

• CAS号

• MDL号

• PubChem SID

• Color Index Number

• Beilstein号

• EC号

• PubChem CID

• MetaboLights数据库

• SureChEMBL数据库

• CHEBI ID

• KNApSAcK数据库

• CHEMBL

• KEGG ID

• BRENDA数据库

• CompTox数据库

• BKMS React数据库

• BindingDB数据库

• BRENDA Ligand数据库

数据登录号

化合物性质

• 产品相关信息

• 安全信息

• 药理学性质

• 理化性质

分子相关蛋白质

分子图谱

描述信息

• Selleck Chemicals

• MP Biomedicals

• Sigma Aldrich

参考文献

• PubChem文献

• 数据源提供

生物活性

• PubChem BioAssay

别名

IUPAC标准名

IUPAC传统名

Color Index Number

75290

PubChem CID

442514320930

MetaboLights数据库

MTBLS1693MTBLS322MTBLS586

SureChEMBL数据库

SCHEMBL19654SCHEMBL1747

KNApSAcK数据库

C00002993

BRENDA数据库

2.7.10.25.1.1.13.5.1.88

CompTox数据库

BKMS React数据库

BindingDB数据库

BRENDA Ligand数据库

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

MHS32

GHS132

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

GHS1128

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

MHS1