Basic information
- CAS
104486-98-8- Standard SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O- InChIKey
PADQINQHPQKXNL-LSDHHAIUSA-N- Molecular formula
- C15H12O6
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.0633881
Overview
(+)-dihydrokaempferol is a tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. It has a role as a metabolite. It is a member of 4'-hydroxyflavanones, a secondary alpha-hydroxy ketone, a tetrahydroxyflavanone and a member of dihydroflavonols. It is functionally related to a kaempferol. It is a conjugate acid of a (+)-dihydrokaempferol 7-oxoanion.
Names & identifiers
- Preferred name
- Dihydrokaempferol
- IUPAC
- (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
- English name
- (2RS,3RS)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
- Molecular formula
- C15H12O6
- Molecular weight
- 288.25
Names & synonyms
dihydrokaempferolaromadendrin480-20-6Aromadedrin(+)-Dihydrokaempferol(+)-aromadendrin(2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one7YA4640575DTXSID8075411CHEBI:15401(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-
Show more names
(1)-DIHYDROKAEMPFEROL(±)-Dihydrokaempferol(+/-)-Dihydrokaempferol(+/-)-Dihydrokaempferol >=95% (HPLC)(2RS,3RS)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-rel-
dihydrokempferoldihydro-kempferoldihydro-kaempferolRefChem:282943,4-dihydro-3,4',5,7-tetrahydroxy-flavoneDTXCID5040596katuranin(2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Boiling Point638.00 to 639.00 °C. @ 760.00 mm Hg
Melting Point247 - 249 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 219 · 219-220 °C
- Boiling point
- 639 · 639.0±55.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- solubility
- Acetone (Slightly), Methanol (Slightly)
- pka
- 7.42 · 7.42±0.60(Predicted)
- form
- Solid
- color
- Off-White to Pale Beige
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 25 · NA.25
- WGK Germany
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses(±)-Dihydrokaempferol is a derivative of Kaempferol (K100000), which is a plant flavonoid which benefits human health via antioxidant activity.
Suppliers9 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都仪睿生物科技有限公司18224028459 18224028459 · [email protected]
成都仪捷睿生物科技有限公司18224018291 18224018291 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
2 records
Compound notes
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