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Robinetin

CAT: 0926-FR36383-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FR36383-02Size:100 mg
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CAS Number
490-31-3
Synonyms
3,3',4',5',7-Pentahydroxyflavone
MDL Number
MFCD00016783
Smiles
C1=CC2=C (C=C1O) OC (=C (C2=O) O) C3=CC (=C (C (=C3) O) O) O
Molecular Formula
C15H10O7
Molecular Weight
302.24 g/mol
Controlled
No

Chemical Information

Robinetin

Robinetin is a pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'. It has a role as a plant metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol.

CAS Number490-31-3
PubChem CID5281692
IUPAC Name3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O7
Molecular Weight302.23
XLogP1.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity476
SMILES
C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
InChIKey
SOEDEYVDCDYMMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Robinetin
CAS: 490-31-3
CID: 5281692
Formula: C15H10O7
MW: 302.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.23
XLogP31.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass302.04265265
Monoisotopic Mass302.04265265
Topological Polar Surface Area127 Ų
Heavy Atom Count22
Formal Charge0
Complexity476
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

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