Dihydrokaempferol

HCID 122850
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基本情報

CAS
104486-98-8
標準SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O
InChIKey
PADQINQHPQKXNL-LSDHHAIUSA-N
分子式
C15H12O6
平均分子量
288.25 g/mol
単同位体質量
288.0633881

概要

(+)-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.

名称と識別子

優先名称
Dihydrokaempferol
IUPAC
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
英語名
(2RS,3RS)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
分子式
C15H12O6
分子量
288.25

名称と別名

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)-
名称をさらに表示
(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

データベース識別子

CAS
104486-98-8、480-20-6
PubChem CID
122850
DTXSID
DTXSID8075411
ChEMBL
CHEMBL9323
ChEBI
CHEBI:15401
UNII
7YA4640575
EC Number
687-473-2、898-086-5
Nikkaji
J12.461C

物性

構造計算による物性

XLogP
1.8
極性表面積
107 Ų
水素結合供与体数
4
水素結合受容体数
6
回転可能結合数
1
重原子数
21

実験および物理化学的性質

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Boiling Point638.00 to 639.00 °C. @ 760.00 mm Hg
Melting Point247 - 249 °C
Physical DescriptionSolid

物理化学的性質

融点
219 · 219-220 °C
沸点
639 · 639.0±55.0 °C(Predicted)
比重(密度)
1.599 · 1.599±0.06 g/cm3(Predicted)
溶解性
Acetone (Slightly), Methanol (Slightly)
酸解離定数(Pka)
7.42 · 7.42±0.60(Predicted)
外見
Solid

安全と法規制

GHS分類

GHS Classification · 5 件

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

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Not Classified

安全データ

wgk
3
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm

サプライヤー9 社

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]

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