7-히드록시플라바논

7-Hydroxyflavanone

HCID 1890

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6515-36-2
표준 SMILES: O=C1CC(c2ccccc2)Oc2cc(O)ccc21
InChIKey: SWAJPHCXKPCPQZ-UHFFFAOYSA-N
분자식: C15H12O3
평균 분자량: 240.25 g/mol
단동위원소 질량: 240.07864424

개요

7-hydroxyflavanone is a monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7.

이름 및 식별자

우선 이름: 7-Hydroxyflavanone
IUPAC: 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
현지명: 7-히드록시플라바논
영어명: 7-Hydroxyflavanone
분자식: C15H12O3
분자량: 240.25

이름 및 동의어

7-Hydroxyflavanone6515-36-27-hydroxy-2-phenyl-2,3-dihydrochromen-4-oneDTXSID00224302,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl-CC64495H41J502.873FCHEBI:34483RefChem:546584DTXCID902430624-686-1

이름 더 보기

7-히드록시플라바논7-HydroxyflavnoneHYDROXYFLAVANONE, 7-7-Hydroxyflavanone>7-Hydroxyflavanone,98%7-HYDROXYFLAVANONE 98%HYDROXYFLAVANONE, 7-(RG)7-Hydroxyflavanone, ≥ 98.0%7-Hydroxyflavanone, 10 mM in DMSO

7-Hydroxy-2-phenylchroman-4-oneMFCD000174877-hydroxy-2-phenyl-4-chromanone2H-1-Benzopyran-7-yloxyCHEMBL975427-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one7-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneUNII-CC64495H41

데이터베이스 식별자

CAS: 6515-36-2
PubChem CID: 1890
DTXSID: DTXSID0022430
ChEMBL: CHEMBL97542
ChEBI: CHEBI:34483
UNII: CC64495H41
EC Number: 624-686-1
Nikkaji: J502.873F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 309

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]

물리화학적 성질

녹는점: 188 · 188-190 °C (lit.)
끓는 점: 464.3 · 464.3±45.0 °C(Predicted)
밀도: 1.288 · 1.288±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 결정성 분말
산도 계수 (pKa): 7.69 · 7.69±0.40(Predicted)
색상: 옅은 노랑
BRN: 87355 · 87355
InChI: 1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
InChIKey: SWAJPHCXKPCPQZ-UHFFFAOYSA-N
SMILES: Oc1ccc2C(=O)CC(Oc2c1)c3ccccc3
LogP: 3.49 · 3.490 (est)

화학적 성질

Pale yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29329900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites7-Hydroxyflavanone has known human metabolites that include Flavanone 7-O-glucuronide.

응용 분야

용도7-Hydroxyflavanone has been used for the stereoisomeric separation of flavonoids using polysaccharide-based chiral stationary phases by nano-liquid chromatography (nano-LC).

상·하류 제품 정보

상류 원료

1-[2-hydroxy-4-(methoxymethoxy)phenyl]ethanone 7-하이드록시-4-벤조피론 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-벤즈알데하이드 페닐붕산 계피산 (1S)-(+)-Camphor-10-sulphonic acid 2,4-Dihydroxyacetophenone 레조시놀

하류 제품

2′,4′-디하이드록시칼콘

공급사78 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

추가 설명

정의ChEBI: A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7.

화합물 노트

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