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Tricetin

Tricetin structure

CAS No:
520-31-0
Formula:
C15H10O7
Chemical Name:
Tricetin
Synonyms:
4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-;Flavone,3′,4′,5,5′,7-pentahydroxy-;5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one;5,7,3′,4′,5′-Pentahydroxyflavone;Tricetin
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: Flavone hydroxylated at positions 3', 4', 5, 5' and 7.

Solid

Tricetin is flavone hydroxylated at positions 3', 4', 5, 5' and 7. It has a role as an antineoplastic agent and a metabolite. It is a conjugate acid of a tricetin(1-).

Tricetin Basic Attributes

Molecular Weight：

302.238

Exact Mass：

302.24

UNII：

5627PY99ZO

DSSTox ID：

DTXSID60199964

Characteristics

PSA：

127

XLogP3：

Appearance：

Solid

Density：

1.763±0.06 g/cm3(Predicted)

Melting Point：

>330 °C (decomp)

Boiling Point：

721.70°C.@760.00mmHg(est)

Water Solubility：

486.3 mg/L @ 25 °C (est)

Collision Cross Section：

163.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

Tricetin Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Computed Properties

Molecular Weight:302.23
XLogP3:1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:302.04265265
Monoisotopic Mass:302.04265265
Topological Polar Surface Area:127
Heavy Atom Count:22
Complexity:465
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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TRICETIN 520-31-0

CAS No.: 520-31-0

Grade: Industrial Grade

Content: 99%

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CAS No.: 520-31-0

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