Dihydrokaempferol

HCID 122850CAS 104486-98-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O
InChIKey
PADQINQHPQKXNL-LSDHHAIUSA-N
분자식
C15H12O6
평균 분자량
288.25 g/mol
단동위원소 질량
288.0633881

개요

(+)-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.

이름 및 식별자

우선 이름
Dihydrokaempferol
IUPAC
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
영어명
(2RS,3RS)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
분자식
C15H12O6
분자량
288.25

이름 및 동의어

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)-
이름 더 보기
(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.8
극성 표면적
107 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
21

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
219 · 219-220 °C
끓는 점
639 · 639.0±55.0 °C(Predicted)
밀도
1.599 · 1.599±0.06 g/cm3(Predicted)
용해도
아세톤(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
7.42 · 7.42±0.60(Predicted)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 5건

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

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Not Classified

안전 데이터

wgk
3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

공급사9 곳

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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