Hematein
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Hematein
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CAS No:
475-25-2
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Formula:
C16H12O6
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Chemical Name:
Hematein
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Synonyms:
Benz[b]indeno[1,2-d]pyran-9(6H)-one,6a,7-dihydro-3,4,6a,10-tetrahydroxy-;Hematein;6a,7-Dihydro-3,4,6a,10-tetrahydroxybenz[b]indeno[1,2-d]pyran-9(6H)-one;Haematein;Hematine;NSC 7333;53986-81-5
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CAS No:
Description
Hematein is a oxidation product of hematoxylin acted as a dye[1]. Hematein is an allosteric casein kinase II inhibitor with an IC50 of 0.74 μM. Hematein inhibits Akt/PKB Ser129 phosphorylation, the Wnt/TCF pathway and increases apoptosis in lung cancer cells[2].
Hematein is an organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. It has a role as a histological dye. It is an enol, an organic heterotetracyclic compound, a member of phenols, a member of quinomethanes and a tertiary alcohol.
Characteristics
107
1.32960
1.77g/cm3
250 °C (decomp)
753.1ºC at 760mmHg
289ºC
1.765
0.6g/L(20 ºC)
162.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Hematein Use and Manufacturing
CK2 inhibitor, antineoplastic, TNFa inhibitor, antiinflammatory As an indicator like hematoxylin; for staining animal tissue, particularly cell nuclei.
Benz[b]indeno[1,2-d]pyran-9(6H)-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-: INACTIVE
Computed Properties
Molecular Weight:300.26
XLogP3:-0.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Exact Mass:300.06338810
Monoisotopic Mass:300.06338810
Topological Polar Surface Area:107
Heavy Atom Count:22
Complexity:645
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes