Dimboa
PubChem CID: 2358
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| Compound Synonyms | DIMBOA, 15893-52-4, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one, 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-BENZOXAZIN-3(4H)-ONE, 2,4-DIHYDROXY-7-METHOXY-, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazinone, 2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)one, 2,4-Dihydroxy-7-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one, TI783RU0DR, CHEBI:18048, (+/-)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, 2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-one, UNII-TI783RU0DR, BRN 1078658, HBO, DIMBOA?, (2R)-2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one, SCHEMBL912624, (+/-)-DIMBOA, (+/-)-DIMBOA, , CHEMBL2269101, DTXSID90936021, GDNZNIJPBQATCZ-UHFFFAOYSA-N, BCP31438, EX-A4012, HY-N7432, AKOS024385514, AS-77472, DA-62892, CS-0128391, C04720, D94538, Q1748422, 2,4-dihydroxy-7-methoxy-4H-[1,4]benzoxazin-3-one, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazine-3-one (DIMBOA) 100 microg/mL in Acetonitrile, DIMBOA pound>>2,4-Dihydroxy-7-methoxy-1,4-benzoxazinone, 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, InChI=1/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Description | Isolated from wheat, in which it is present mainly as glucoside. Appears to be a natural aphicide, insecticide and fungicide. Involved in the in vivo detoxification of herbicides , e.g. Simazine. (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one is found in cereals and cereal products and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one |
| Nih Violation | False |
| Class | Benzoxazines |
| Xlogp | 0.0 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Benzoxazinones |
| Molecular Formula | C9H9NO5 |
| Inchi Key | GDNZNIJPBQATCZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (+/-)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, (2R)-2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one, (R)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, 2,4-Dihydroxy-7-(methyloxy)-2H-1,4-benzoxazin-3(4H)-one, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one, 2,4-Dihydroxy-7-methoxy-1,4-benzoxazinone, 2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, 2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)one, DIMBOA, HBO |
| Substituent Name | Benzoxazinone, Benzomorpholine, Anisole, Alkyl aryl ether, Benzenoid, Oxazinane, Hydroxamic acid, Hemiacetal, Carboxamide group, Oxacycle, Azacycle, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Dimboa |
| Kingdom | Organic compounds |
| Exact Mass | 211.048 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 211.048 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 211.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| 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 |
| Smiles | COC1=CC2=C(C=C1)N(C(=O)C(O2)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzoxazinones |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all