CAS 6051-87-2|BIDD:ER0570|5,6 Benzoflavone|3-Phenyl-1H-naphtho[2,1-b]pyran-1-one|1H-Naphtho(2,1-b)pyran-1-one, 3-phenyl-|3-Phenyl-1H-benzo[f]chromen-1-one|N3633_SIGMA|3-phenyl-1H-benzo[f]chromen-1-o...

基本信息

化学结构

分子式

C₁₉H₁₂O₂

分子量

272.29738

精确质量

272.08372962

电荷

0

InChI

InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H

InChIKey

OUGIDAPQYNCXRA-UHFFFAOYSA-N

Canonic Smiles

O=c1cc(oc2c1c1ccccc1cc2)c1ccccc1

Isomeric Smiles

o1c2c(c3c(cc2)cccc3)c(=O)cc1c1ccccc1

计算属性

JChem

Acid pKa

15.421028

质子受体

2

质子供体

0

LogD (pH = 5.5)

3.956862

LogD (pH = 7.4)

3.9568617

Log P

3.956862

摩尔折射率

83.4214

极化性

32.867867

极化表面积

26.3

可自由旋转的化学键

1

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

BIDD:ER05705,6 Benzoflavone3-Phenyl-1H-naphtho[2,1-b]pyran-1-one1H-Naphtho(2,1-b)pyran-1-one, 3-phenyl-3-Phenyl-1H-benzo[f]chromen-1-oneN3633_SIGMAbeta-Naphthoflavone3-Phenyl-benzo[f]chromen-1-oneWLN: T B666 CV FOJ ER{3-Phenyl-1H-naphtho[2,} 1-b\]pyran-1-one{1H-Naphtho[2,} 1-b\]pyran-1-one, 3-phenyl-1H-Naphtho[2,1-b]pyran-1-one, 3-phenyl-BNFbeta-NF5,6-benzoflavone3-Phenyl-1H-naphtho(2,1-b)pyran-1-one3-phenyl-1H-benzo[f]chromen-1-one (ACD/Name 4.0)β-Naphthoflavoneβ-萘黄酮beta-Naphthoflavone5,6-苯并黄酮β-NAPHTHOFLAVONEbeta-Naphthoflavoneβ-萘基黄酮

IUPAC标准名

3-phenyl-1H-benzo[f]chromen-1-one

IUPAC传统名

β-naphthoflavone β-NF

名称和标识

数据登录号

Chemspider ID

PubChem CID

CHEMBL

DrugBank ID

CAS号

PubChem SID

994432782489765724886080160967895

维基百科标题

EC号

Beilstein号

MDL号

数据登录号

化合物性质

药理学性质

rat ... Gabra2(29706)

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

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描述信息

MP Biomedicals

02195339

Yellow/tan crystals
Purity: 92-95%
Inhibitor of aryl hydrocarbon hydroxylase.

05216787

MP Biomedicals Rare Chemical collection

Sigma Aldrich

N3633

包装
1, 5 g in poly bottle

Wikipedia

Beta-Naphthoflavone

DrugBank

DB06732

Drug Groups

experimental

Description

beta-Naphthoflavone, also known as 5,6-benzoflavone, is a potent agonist of the aryl hydrocarbon receptor and as such is an inducer of such detoxification enzymes as cytochromes P450 (CYPs) and uridine 5'-diphospho-glucuronosyltransferases (UGTs). β-Naphthoflavone is a putative chemopreventive agent.

References

• Chlouchi A, Girard C, Bonet A, Viollon-Abadie C, Heyd B, Mantion G, Martin H, Richert L: Effect of chrysin and natural coumarins on UGT1A1 and 1A6 activities in rat and human hepatocytes in primary culture. Planta Med. 2007 Jul;73(8):742-7. Epub 2007 Jun 28. [Pubmed]

• Izzotti A, Bagnasco M, Cartiglia C, Longobardi M, Camoirano A, Tampa E, Lubet RA, De Flora S: Modulation of multigene expression and proteome profiles by chemopreventive agents. Mutat Res. 2005 Dec 11;591(1-2):212-23. Epub 2005 Aug 3. [Pubmed]

External Links

• [Wikipedia]

描述信息

参考文献

PubChem文献

数据源提供

• Izzotti A, Bagnasco M, Cartiglia C, Longobardi M, Camoirano A, Tampa E, Lubet RA, De Flora S: Modulation of multigene expression and proteome profiles by chemopreventive agents. Mutat Res. 2005 Dec 11;591(1-2):212-23. Epub 2005 Aug 3. Pubmed

• Chlouchi A, Girard C, Bonet A, Viollon-Abadie C, Heyd B, Mantion G, Martin H, Richert L: Effect of chrysin and natural coumarins on UGT1A1 and 1A6 activities in rat and human hepatocytes in primary culture. Planta Med. 2007 Jul;73(8):742-7. Epub 2007 Jun 28. Pubmed

• Cancer Res. , 32 : 731, 1329 (1972).

参考文献

生物活性

PubChem BioAssay

生物活性

化合物信息

ID:4463