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Orobol

CAT: 0926-FO137892-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FO137892-02Size:2 mg
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CAS Number
480-23-9
Synonyms
3',4'.5,7-Tetrahydroxyisoflavone
MDL Number
MFCD00210595
Smiles
C1=CC (=C (C=C1C2=COC3=CC (=CC (=C3C2=O) O) O) O) O
Molecular Formula
C15H10O6
Molecular Weight
286.24 g/mol
Controlled
No

Chemical Information

Orobol

Orobol is a member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4'. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a radical scavenger, an anti-inflammatory agent, a plant metabolite and a fungal metabolite. It is functionally related to an isoflavone.

CAS Number480-23-9
PubChem CID5281801
IUPAC Name3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC15H10O6
Molecular Weight286.24
XLogP2.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity447
SMILES
C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
InChIKey
IOYHCQBYQJQBSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orobol
CAS: 480-23-9
CID: 5281801
Formula: C15H10O6
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass286.04773803
Monoisotopic Mass286.04773803
Topological Polar Surface Area107 Ų
Heavy Atom Count21
Formal Charge0
Complexity447
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
TN2019-01Orobol

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