Mrv0541 03281412092D          

 20 22  0  0  0  0            999 V2000
    1.4256   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256   -2.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1401   -3.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1401   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8545   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8545   -2.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -3.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -2.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -1.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7124   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4269   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4269   -0.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7124   -0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980   -0.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690   -3.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7124   -2.6334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1414   -1.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1414   -2.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  2  0  0  0  0
  2  3  1  0  0  0  0
 12 13  1  0  0  0  0
  3  6  2  0  0  0  0
 13 14  2  0  0  0  0
  1  2  2  0  0  0  0
 14 15  1  0  0  0  0
  5  4  2  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 11  1  0  0  0  0
  4  1  1  0  0  0  0
  7 17  2  0  0  0  0
  5 10  1  0  0  0  0
 12 18  1  0  0  0  0
  6  7  1  0  0  0  0
 13 19  1  0  0  0  0
  7  8  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:77954

> <NAME>
2-(2-amino-3-methoxyphenyl)chromen-4-one

> <DEFINITION>
A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.

> <STAR>
3

> <SYNONYM>
PD98059; PD-98059; PD 98059; PD 98,059; 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one; 2'-amino-3'-methoxyflavone

> <IUPAC_NAME>
2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one

> <FORMULA>
C16H13NO3

> <MASS>
267.27930

> <MONOISOTOPIC_MASS>
267.08954

> <CHARGE>
0

> <SMILES>
COc1cccc(c1N)-c1cc(=O)c2ccccc2o1

> <INCHI>
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

> <INCHIKEY>
QFWCYNPOPKQOKV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
167869-21-8

> <REAXYS_REGISTRY_NUMBER>
8148190

> <CHEMIDPLUS>
167869-21-8

> <LINCS_ACCESSION>
LSM-3394

> <PUBMED_CITATION>
11804618; 12680846; 22363408; 24601228; 34071138; 34252520; 9633509; 9742931; 9786874

$$$$