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Oroxylin A

CAT: 0127-BUP00041-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00041-01Size:5 mg
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CAS Number
480-11-5
Synonyms
Baicalein 6-methyl ether, 6-Methoxybaicalein
Purity
=98%
Smiles
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1

Chemical Information

Oroxylin A

Oroxylin A is a dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6. It has a role as an antineoplastic agent and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a monomethoxyflavone and a dihydroxyflavone. It is a conjugate acid of an oroxylin A(1-).

CAS Number480-11-5
PubChem CID5320315
IUPAC Name5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP2.1
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity426
SMILES
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
InChIKey
LKOJGSWUMISDOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oroxylin A
CAS: 480-11-5
CID: 5320315
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area76 Ų
Heavy Atom Count21
Formal Charge0
Complexity426
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