Hesperetin dihydrochalcone

HCID 147608CAS 35400-60-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O
InChIKey
RWKSTZADJBEXSQ-UHFFFAOYSA-N
Molecular formula
C16H16O6
Average molar mass
304.29 g/mol
Monoisotopic mass
304.09468823

Names & identifiers

Preferred name
Hesperetin dihydrochalcone
IUPAC
3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
English name
Hesperetin dihydrochalcone
Molecular formula
C16H16O6
Molecular weight
304.29

Names & synonyms

Hesperetin dihydrochalcone35400-60-33-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one6FQ3Q8SSB7UNII-6FQ3Q8SSB7FEMA NO. 4872DTXSID901888863-(3-Hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-RefChem:145827DTXCID501113774-Methoxy-2',4',6',3-tetrahydroxydihydrochalcone
Show more names
3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (hesperetin-dihydrochalcone)
Hesperitin dihydrochalconeHESPERIDINDIHYDROCHALCONECHEMBL133081orb2893345SCHEMBL10328452SCHEMBL29386339TN8682FM66072

Database identifiers

CAS
35400-60-3
PubChem CID
147608
DTXSID
DTXSID90188886
ChEMBL
CHEMBL133081
UNII
6FQ3Q8SSB7
EC Number
175-484-0
Nikkaji
J811.219C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
107 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

Experimental & physicochemical properties

Solubility · 2 items

Practically insoluble to insoluble

Soluble (in ethanol)

Physical DescriptionSlightly grey solid; Bland aroma

Physicochemical properties

Boiling point
553.1 · 553.1±38.0 °C(Predicted)
Density
1.409 · 1.409±0.06 g/cm3(Predicted)
FEMA
4872 · 4872 | 3-(3-HYDROXY-4-METHOXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE
pka
7.16 · 7.16±0.40(Predicted)
JECFA Number
2262 · 2262
LogP
3.21 · 3.210 (est)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Applications

UsesHesperetin dihydrochalcone is a flavonoid derivative with a flavoring activity[1].

Suppliers32 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]

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