HCID9894584

Naringin dihydrochalcone

1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

C27H34O14582.5 g/molCAS 18916-17-1

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IDENTITY

结构与身份

标准SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey: CWBZAESOUBENAP-QVNVHUMTSA-N
分子式: C27H34O14
平均分子量: 582.5 g/mol
单同位素质量: 582.19485575

COMPUTED

结构计算性质

已同步

XLogP: -0.3
极性表面积: 236 Å²
氢键供体: 9
氢键受体: 14
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 827

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

Soluble

Soluble (in ethanol)

Physical Description

White solid, Bland aroma

GHS

GHS分类

来源：PubChem

GHS Classification

Not Classified；Reported as not meeting GHS hazard criteria by 100 of 112 companies

Aggregated GHS information provided per 112 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 100 of 112 reports by companies.；There are 2 notifications provided by 12 of 112 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 24-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11444

Hazard Classes and Categories

Not Classified

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 24-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11444

USES

用途与制造

来源：PubChem

Use Classification

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

ALIASES

名称与别名

共 51 条

naringin dihydrochalcone18916-17-1FEMA no. 44957233QDO0QWDTXSID10940428Phloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside)1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-Propanone, 1-[4-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-Glucopyranoside, 3,5-dihydroxy-4-(p-hydroxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-RefChem:164854DTXCID401777781700-320-7Naringin DC1-(4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-oneMFCD084361451-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-oneNaringindihydrochalconeUNII-7233QDO0QWbeta-D-3,5-Dihydroxy-4-(p-hydroxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)glucopyranoside; Phloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside); Naringin Dihydrochalconenaringin-dihydrochalcone

REACTIONS

参与反应

1 条

uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04087558

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