CAS 24198-97-8(anhydrous)|(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one hydrate|3,3′,4′,5,7-Pentahydroxyflavanone hydrate|(+)-taxifolin hydrate|Dihydroquerceti...

Molecular Formula

C₁₅H₁₄O₈

Molecular Mass

322.26686

Exact Mass

322.06886741

InChI

InChI=1S/C15H12O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,14-19,21H;1H2/t14-,15+;/m0./s1

InChIKey

DNQPGSVMBPSRIR-LDXVYITESA-N

Canonic Smiles

Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O.O

Isomeric Smiles

c1cc(c(cc1[C@@H]1[C@H](C(=O)c2c(cc(cc2O1)O)O)O)O)O.O

JChem

Acid pKa

7.797971

H Acceptors

H Donor

LogD (pH = 5.5)

1.8142184

LogD (pH = 7.4)

1.6695796

Log P

1.8163843

Molar Refractivity

74.6089

Polarizability

28.610525

Polar Surface Area

127.45

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one hydrate

Synonyms

3,3′,4′,5,7-Pentahydroxyflavanone hydrateDihydroquercetin hydrate(±)-Taxifolin hydrate

IUPAC Traditional name

(+)-taxifolin hydrate

PubChem SID

24278739162227389

MDL Number

MFCD11044454

PubChem CID

71308639

Pharmacology Properties

Gene Information

mouse ... Hexa(15211)

Physical Property

Solubility

DMSO: soluble20 mg/mL

Safety Information

German water hazard class

Safety Statements

Storage Temperature

-20°C

European Hazard Symbols

Harmful (Xn)

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Risk Statements

GHS Signal Word

Warning

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H302

Product Information

Purity

≥90% (HPLC)

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

T4512

Biochem/physiol Actions
Flavonoid, antioxidant. Inhibits lipogenesis in cancer cells, most likely by targeting fatty acid synthase activity.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

IUPAC name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one hydrate

Synonyms

3,3′,4′,5,7-Pentahydroxyflavanone hydrateDihydroquercetin hydrate(±)-Taxifolin hydrate

IUPAC Traditional name

(+)-taxifolin hydrate

PubChem SID

24278739162227389

MDL Number

MFCD11044454

PubChem CID

71308639

Pharmacology Properties

Gene Information

mouse ... Hexa(15211)

Physical Property

Solubility

DMSO: soluble20 mg/mL

Safety Information

German water hazard class

Safety Statements

Storage Temperature

-20°C

European Hazard Symbols

Harmful (Xn)

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Risk Statements

GHS Signal Word

Warning

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H302

Product Information

Purity

≥90% (HPLC)

Sigma Aldrich

T4512

Biochem/physiol Actions
Flavonoid, antioxidant. Inhibits lipogenesis in cancer cells, most likely by targeting fatty acid synthase activity.

No Data Available

Click here to submit data

Molecule

ID:133112