1,8-Dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]anthracene-9,10-dione
Basic information
- CAS
521-62-0- Standard SMILES
Cc1cc(O)c2c(c1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)cc(O)c1C2=O- InChIKey
DTTVUKLWJFJOHO-UHFFFAOYSA-N- Molecular formula
- C21H20O9
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.11073221
Names & identifiers
- Preferred name
- 1,8-Dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]anthracene-9,10-dione
- IUPAC
- 1,8-dihydroxy-3-methyl-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyanthracene-9,10-dione
- English name
- FRANGULIN A
- Molecular formula
- C21H20O9
- Molecular weight
- 416.38
Names & synonyms
1,8-dihydroxy-3-methyl-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]anthracene-9,10-dioneFrangulin A (8CI)NSC407302Frangulin (Mixture Of A + B)(As)NSC-407302DB-052081DB-053639FRANGULINnedioneCASCARINFRANGULIN Afranguloside
Show more names
RhamnoxanthinRAHMNOXANTHINEmodin Impurity 14EModin 6-rhaMnosideEMODIN-L-RHAMNOSIDE
Database identifiers
- CAS
521-62-0- PubChem CID
- 348160
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 683
Experimental & physicochemical properties
Melting Point228 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 230 °C · 230°C
- Boiling point
- 744.3 · 744.3±60.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- solubility
- Ethanol: slightly soluble; Methanol: slightly soluble
- form
- powder
- pka
- 6 · 6.00±0.20(Predicted)
- BRN
- 59993 · 59993
- Major Application
- food and beverages
- InChI
- 1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1
- InChIKey
- DTTVUKLWJFJOHO-FUCRAMRQSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesFrangulin A, is a novel emodin rhamnoside derivative, that has shown to have anti-proliferative activities on cancer cell lines in vitro.
General DescriptionThis substance is supplied with certified chromatographic purity. The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
Additional notes
DefinitionChEBI: Frangulin A is an anthraquinone.
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