4-(7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl)-2-methoxyphenyl 2-amino-4-(methylselanyl)butanoate

ID: ALA4483536

PubChem CID: 101905322

Max Phase: Preclinical

Molecular Formula: C26H29NO7Se

Molecular Weight: 546.48

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)C(N)CC[Se]C)c(OC)c2)ccc1O

Standard InChI:  InChI=1S/C26H29NO7Se/c1-32-24-14-17(6-10-22(24)30)4-8-19(28)16-20(29)9-5-18-7-11-23(25(15-18)33-2)34-26(31)21(27)12-13-35-3/h4-11,14-15,21,30H,12-13,16,27H2,1-3H3/b8-4+,9-5+

Standard InChI Key:  NCZJYSVCSWWIIJ-KBXRYBNXSA-N

Molfile:  

 
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   15.7450   -4.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401   -2.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8405   -1.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400   -4.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1318   -3.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4246   -4.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307   -3.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4257   -5.1959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092   -4.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009   -3.9729    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
    1.5938   -4.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

Alternative Forms

1. Parent:

   

   ALA4483536

   [4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 2-amino-4-methylselanylbutanoate

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 546.48

Molecular Weight (Monoisotopic): 547.1109

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References

1. Rodrigues FC, Anil Kumar NV, Thakur G..  (2019)  Developments in the anticancer activity of structurally modified curcumin: An up-to-date review.,  177  [PMID:31129455] [10.1016/j.ejmech.2019.04.058]

Source

Source(1):

• Scientific Literature