四氢姜黄素

Tetrahydrocurcumin

HCID 124072CAS 36062-04-1
子结构检索查找相似结构

基本信息

标准SMILES
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
InChIKey
LBTVHXHERHESKG-UHFFFAOYSA-N
分子式
C21H24O6
平均分子量
372.4 g/mol
单同位素质量
372.15728849

概述

Tetrahydrocurcumin is a beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds. It has a role as a metabolite. It is a polyphenol, a beta-diketone and a diarylheptanoid. It is functionally related to a curcumin.

名称与标识

首选名称
Tetrahydrocurcumin
IUPAC
1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
中文名
四氢姜黄素
英文名
Tetrahydrocurcumin
分子式
C21H24O6
分子量
372.41

名称与别名

Tetrahydrocurcumin36062-04-11,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dioneSabiwhiteTetrahydrodiferuloylmethane3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-NSC-687845DTXSID3086580100U0645U03CHEBI:67263RefChem:188657DTXCID40814168
展开更多名称
氢姜黄素偏磷酸铜四氢姜黄四氢姜黄素氢化姜黄素4-氢姜黄素纳米四氢姜黄素四氢-姜黄色素水溶性四氢姜黄素四氢姜黄素/酚类tetrahydrocurcuminoidsSabiWhite-LGB-TCHAids110028Aids-110028BioaActive THC
609-201-3Tetrahydro Curcumin1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedioneNSC 687845TetrahydrocucuminHZIV 81-2MFCD04152347NSC687845

数据库标识

CAS
36062-04-1
PubChem CID
124072
DTXSID
DTXSID30865801
ChEMBL
CHEMBL318743
ChEBI
CHEBI:67263
UNII
00U0645U03
EC Number
609-201-3
Nikkaji
J478.221F

性质

结构计算性质

XLogP
2.8
极性表面积
93.1 Ų
氢键供体
2
氢键受体
6
可旋转键
10
重原子
27

实验与物化性质

CosmeticsAntioxidant
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point95 - 97 °C
Physical DescriptionSolid
Collision Cross Section181.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID30865801]

物理化学性质

熔点
95 · 95-97 ºC
沸点
564.1 · 564.1±45.0 °C(Predicted)
密度
1.222 · 1.222
闪点
196 ℃ · 196℃
储存条件
Inert atmosphere,Room Temperature
溶解度
DMSO (Slightly), Methanol (Slightly, Heated)

化学性质

类白色结晶粉末，可溶于甲醇、乙醇、DMSO等有机溶剂，来源于姜黄鳞茎。

安全与法规

GHS分类

GHS Classification · 3 条

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

危害信息

Regulatory Information · 3 条

Chemical: 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-

Status: Active Update: 18-06-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7283

3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-: 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 CategoriesNot Classified

安全数据

wgk
3
存储类别
11 - Combustible Solids

化学与工业

药理信息

Cellular LocationsMembrane

用途与制造

Use ClassificationCosmetics -> Antioxidant

应用领域

用途四氢姜黄素具有祛斑美白抗衰老的作用。

制备方法 · 1 条

生产方法以(1E,6E)-1,7-双(4-羟基-3-甲氧基苯基)庚-1,6-二烯-3,5-二酮为起始原料合成四氢姜黄素的一般步骤：将1g铂-铁-镍氢氧化物复合纳米粒子催化剂与100g姜黄素加入装有300ml乙醇的反应烧瓶中，于24℃室温条件下搅拌反应1小时。反应完成后，通过减压蒸馏除去溶剂，得到98g淡黄色粘性物质。将该物质溶解于400ml乙醇中，随后浓缩至150ml。将浓缩液置于冰箱中静置结晶，最终获得92.9g淡黄色固体产物，收率为92.9%。参考文献：[1] Patent: CN104496779, 2017, B. Location in patent: Paragraph 0014; 0015; 0016; 0017; 0018-0023[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 6, p. 495 - 497[3] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 22, p. 6175 - 6181[4] Bioscience, biotechnology, and biochemistry, 1995, vol. 59, # 9, p. 1609 - 1612[5] Biochemical Pharmacology, 1996, vol. 52, # 4, p. 519 - 525

上下游产品信息

试剂价格

S3917 · 25mg
四氢姜黄素Tetrahydrocurcumin — 1040.19元
S3917 · 1g
四氢姜黄素Tetrahydrocurcumin — 10401.3元

供应商50 家

西安江林生物科技有限公司18292036798; 18292036798
西安久启生物科技有限公司18729366352 13186100227
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]

相关反应

2 条
新建反应记录

关联笔记

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