Molecular Identity
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
PubChem CID: 2358
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.
2D Structure
Properties
C9H9NO5
Molecular Formula
211.17
Molecular Weight
g/mol
211.0481
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
79.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
259
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC2=C(C=C1)N(C(=O)C(O2)O)OIsomeric SMILES
SMILES: COC1=CC2=C(C=C1)N(C(=O)C(O2)O)OSynonyms(20)
DIMBOA15893-52-42,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one2H-1,4-BENZOXAZIN-3(4H)-ONE, 2,4-DIHYDROXY-7-METHOXY-2,4-Dihydroxy-7-methoxy-1,4-benzoxazinoneTI783RU0DR2,4-dihydroxy-7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-oneCHEBI:18048DTXSID90936021RefChem:908756DTXCID108827332,4-Dihydroxy-7-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one2,4-Dihydroxy-7-methoxy-2H,1,4-benzoxazin-3(4H)oneMFCD01744500
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one
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