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Rubiadin

CAT: 0127-BUP01635-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01635-04Size:25 mg
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CAS Number
117-02-2
Synonyms
1,3-Dihydroxy-2-Methylanthracene-9,10-Dione
Purity
=98%
Smiles
Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1O

Chemical Information

Rubiadin

Rubiadin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. It has a role as an antioxidant, an antibacterial agent, a hepatoprotective agent and a plant metabolite.

CAS Number117-02-2
PubChem CID124062
IUPAC Name1,3-dihydroxy-2-methylanthracene-9,10-dione
Molecular FormulaC15H10O4
Molecular Weight254.24
XLogP3.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity405
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
InChIKey
IRZTUXPRIUZXMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rubiadin
CAS: 117-02-2
CID: 124062
Formula: C15H10O4
MW: 254.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass254.05790880
Monoisotopic Mass254.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-490300Rubiadin
HY-N0444RRubiadin (Standard)
HY-N1956-01Rubiadin-1-methyl ether
JH466294Rubiadin 1-methyl ether

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