7-Hydroxyisoflavone

HCID 5376891CAS 13057-72-2

기본 정보

표준 SMILES: O=c1c(-c2ccccc2)coc2cc(O)ccc12
InChIKey: WMKOZARWBMFKAS-UHFFFAOYSA-N
분자식: C15H10O3
평균 분자량: 238.24 g/mol
단동위원소 질량: 238.06299418

개요

7-hydroxyisoflavone is the simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. It has a role as a metabolite and an EC 1.14.14.14 (aromatase) inhibitor. It is a conjugate acid of a 7-hydroxyisoflavone(1-).

이름 및 식별자

우선 이름: 7-Hydroxyisoflavone
IUPAC: 7-hydroxy-3-phenylchromen-4-one
영어명: 7-Hydroxyisoflavone
분자식: C15H10O3
분자량: 238.24

이름 및 동의어

7-Hydroxyisoflavone13057-72-27-Hydroxy-3-phenyl-4H-chromen-4-one7-hydroxy-3-phenylchromen-4-one4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-7-Hydroxy IsoflavoneCHEBI:12256DTXSID90156626RefChem:106227DTXCID7079117603-427-67-Hydroxy-3-phenyl-chromen-4-one

이름 더 보기

AMP Citrate7-hydroxy isoflavones7-hydroxy-3-phenyl-4-chromenoneIsoflavone, 7-hydroxy- (6CI,7CI,8CI)7-hydroxy-3-phenyl-1-benzopyran-4-one7Hydroxyisoflavone,7 Hydroxyisoflavone

MFCD000177017-Hydroxy-3-phenylchromoneIpriflavone Impurity B7-hydroxy-3-phenyl-4H-1-benzopyran-4-oneNSC607392Ipriflavone Impurity 2BRN 01935347-hydroxyisoflavones

데이터베이스 식별자

CAS: 13057-72-2
PubChem CID: 5376891
DTXSID: DTXSID90156626
ChEMBL: CHEMBL491981
ChEBI: CHEBI:12256
EC Number: 603-427-6
Nikkaji: J270.628H

물성

구조 계산 물성

XLogP: 2.8
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: 355

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 214 to · 214.0 to 218.0 °C
끓는 점: 450.1 · 450.1±45.0 °C(Predicted)
밀도: 1.34 · 1.340±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 6.98 · 6.98±0.20(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H
InChIKey: WMKOZARWBMFKAS-UHFFFAOYSA-N
SMILES: C1OC2=CC(O)=CC=C2C(=O)C=1C1=CC=CC=C1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: DJ3100255
HS 번호: 29145090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/Metabolites7-Hydroxyisoflavone is a known human metabolite of ipriflavone.

응용 분야

용도7-Hydroxyisoflavone and its derivatives are highly important drug intermediate,the correlated medicines can be used as antiosteoporosis drugs,prevent knubbly cell diffusion,therapy coronary heart disease etc.

상·하류 제품 정보

상류 원료

공급사50 곳

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

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

추가 설명 · 1건

정의ChEBI: 7-hydroxyisoflavone is the simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. It has a role as an EC 1.14.14.14 (aromatase) inhibitor and a metabolite. It is a conjugate acid of a 7-hydroxyisoflavone(1-).