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DIMBOA

CAT: 1410-M21763-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M21763-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DIMBOA, an antibiotic, is a benzoxazinoid, part of the chemical defense system of graminaceous plants such as maize, wheat, and rye.
CAS Number
15893-52-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
211.17
Molecular Formula
C₉H₉NO₅
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one

DIMBOA is a lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. It has a role as an allelochemical and a plant metabolite. It is a cyclic hydroxamic acid, an aromatic ether, a lactol and a benzoxazine. It is functionally related to a DIBOA.

CAS Number15893-52-4
PubChem CID2358
IUPAC Name2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
Molecular FormulaC9H9NO5
Molecular Weight211.17
XLogP0
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity259
SMILES
COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O
InChI
InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
InChIKey
GDNZNIJPBQATCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one
CAS: 15893-52-4
CID: 2358
Formula: C9H9NO5
MW: 211.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.17
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass211.04807239
Monoisotopic Mass211.04807239
Topological Polar Surface Area79.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
555930DIMBOA
A22058-10DIMBOA 10mg
A22058-1DIMBOA 1mg
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TRC-D459953-0.5MGDIMBOA-Glc
A22058-25DIMBOA 25mg
A22058-100DIMBOA 100mg
A22058-5DIMBOA 5mg

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