ChemicalBook--->CAS DataBase List--->2034-69-7

2034-69-7

2034-69-7 Structure

2034-69-7 Structure
IdentificationBack Directory
[Name]

daphnoretin
[CAS]

2034-69-7
[Synonyms]

Thymerol
aphnoretin
Dephnoretin
Daphnoretin ,98%
Coumarin, 7-hydroxy-6-methoxy-3,7'-oxydi-
7-Hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran 7-yl)-oxy]-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one,7-hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-
[Molecular Formula]

C19H12O7
[MDL Number]

MFCD01082318
[MOL File]

2034-69-7.mol
[Molecular Weight]

352.29
Chemical PropertiesBack Directory
[Melting point ]

245-246℃
[Boiling point ]

639.6±55.0 °C(Predicted)
[density ]

1.501
[storage temp. ]

2-8°C
[solubility ]

DMSO:100.0(Max Conc. mg/mL);283.85(Max Conc. mM)
[form ]

A crystalline solid
[pka]

7.53±0.20(Predicted)
[color ]

Off-white to light yellow
[Major Application]

food and beverages
[InChI]

1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
[InChIKey]

JRHMMVBOTXEHGJ-UHFFFAOYSA-N
[SMILES]

[o]1c2c(cc([c]1=O)Oc3cc4[o][c](ccc4cc3)=O)cc(c(c2)O)OC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319
[Precautionary statements ]

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Yellow powder, soluble in methanol and ethanol, poorly soluble in chloroform, ether and acetone, derived from King Lao.
[Uses]

Daphnoretin is an active constituent of Wikstroemia indica C. A. Meys which possesses anti-cancer activity. Inhibitory effect on mitosis.
[Definition]

ChEBI: A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3.
Spectrum DetailBack Directory
[Spectrum Detail]

daphnoretin(2034-69-7)1HNMR
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