黄豆苷元-D4

Daidzein

HCID 178909714CAS 1219803-57-2
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基本信息

标准SMILES
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
InChIKey
ZQSIJRDFPHDXIC-UHFFFAOYSA-N
分子式
C15H10O4
平均分子量
254.24 g/mol

概述

Daidzein is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor, an antineoplastic agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, a plant metabolite and a phytoestrogen. It is a conjugate acid of a daidzein(1-).

名称与标识

首选名称
Daidzein
IUPAC
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
中文名
黄豆苷元-D4
英文名
Daidzein-d4
分子式
C15H10O4
分子量
254.24

名称与别名

daidzein486-66-84',7-DihydroxyisoflavoneDaidzeol7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one7,4'-Dihydroxyisoflavone7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one7-hydroxy-3-(4-hydroxyphenyl)chromen-4-oneDiadzein7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyroneDTXSID90223106287WC5J2L
展开更多名称
大豆黄酮-d4黄豆苷元-D47-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-4H-1-benzopyran-4-one
DTXCID102310CHEBI:28197RefChem:5729207-635-44H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-Daidzein (Standard)MFCD000169544,7-Dihydroxyisoflavone

数据库标识

CAS
1219803-57-2
ChEMBL
CHEMBL8145
ChEBI
CHEBI:28197
UNII
6287WC5J2L
EC Number
207-635-4
Nikkaji
J6.014C

性质

结构计算性质

XLogP
2.5
极性表面积
66.8 Ų
氢键供体
2
氢键受体
4
可旋转键
1
重原子
19

实验与物化性质

DrugsPharmaceuticals -> Listed in ZINC15
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
LogP3.42
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point323 °C
Physical DescriptionSolid

物理化学性质

储存条件
-20 °C · Store at -20°C
溶解度
10 mg/ml,DMSO: · DMF: 10 mg/ml,DMSO: 30 mg/ml,Ethanol: 0.1 mg/ml
形态
A solid
颜色
White to off-white

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 3.7% (3 of 81) of reports.

Warning

H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)

毒理信息

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学与工业

药理信息

Metabolism/MetabolitesDaidzein has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid and Dihydrodazein.
MeSH Pharmacological ClassificationCompounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.
Cellular LocationsMembrane

用途与制造

Uses · 1 条

Isoflavones compounds are found in a number of plants, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Equol represents the main active product of daidzein metabolism, produced via specific microflora in the gut.

应用领域

概述黄豆苷元-D4 是 Daidzein 的氘代物。Daidzein 是一种大豆异黄酮，可用作 PPAR 激活剂。

试剂价格

HY-N0019S · 1 mg
黄豆苷元-D4Daidzein-d4 — 3100元

供应商9 家

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]

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