(3Z)-3-(3-oxobenzoselenophen-2-ylidene)-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]indolin-2-one

ID: ALA5170058

Chembl Id: CHEMBL5170058

PubChem CID: 71723501

Max Phase: Preclinical

Molecular Formula: C22H19NO6Se

Molecular Weight: 472.36

Names and Identifiers

Canonical SMILES:  C[C@@H]1O[C@H](N2C(=O)/C(=C3\[Se]c4ccccc4C3=O)c3ccccc32)[C@H](O)[C@H](O)[C@H]1O

Standard InChI:  InChI=1S/C22H19NO6Se/c1-10-16(24)18(26)19(27)22(29-10)23-13-8-4-2-6-11(13)15(21(23)28)20-17(25)12-7-3-5-9-14(12)30-20/h2-10,16,18-19,22,24,26-27H,1H3/b20-15-/t10-,16-,18+,19+,22-/m0/s1

Standard InChI Key:  UFOPLWSHODVIET-ZJIYYNSESA-N

Alternative Forms

1. Parent:

   

   ALA5170058

   (3Z)-3-(3-oxo-1-benzoselenophen-2-ylidene)-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]indol-2-one

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 472.36

Molecular Weight (Monoisotopic): 473.0378

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References

1. Wang H, Wang Z, Wei C, Wang J, Xu Y, Bai G, Yao Q, Zhang L, Chen Y..  (2021)  Anticancer potential of indirubins in medicinal chemistry: Biological activity, structural modification, and structure-activity relationship.,  223  [PMID:34161865] [10.1016/j.ejmech.2021.113652]

Source

Source(1):

• Scientific Literature