Isoxanthohumol

HCID 513197CAS 70872-29-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(O)c(CC=C(C)C)c2c1C(=O)CC(c1ccc(O)cc1)O2
InChIKey: YKGCBLWILMDSAV-UHFFFAOYSA-N
분자식: C21H22O5
평균 분자량: 354.4 g/mol

개요

Isoxanthohumol is a member of flavanones.

이름 및 식별자

우선 이름: Isoxanthohumol
IUPAC: 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
영어명: ISOXANTHOHUMOL
분자식: C21H22O5
분자량: 354.4

이름 및 동의어

Isoxanthohumol7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneB3BXQ4EZD6DTXSID101045280RefChem:150151DTXCID40152720770872-29-6521-48-2Isoxanthohumol(Sophora)5-Methylsophoraflavanone BMFCD002387187-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)chroman-4-one

이름 더 보기

(2S)-IsoxanthohumollsoxanthohumolIsoxanthohunolIs0xanthohumolISOXANTHOHUMOL(P)(?)-Isoxanthohumol(-)-IsoxanthohumolIsoxanthohumol, (2S)-Hybutimibe Impurity 24(2S)-Isoxanthohumol (Standard)

CHEMBL49282872247-79-1Isoxanthohumol, >=99% (HPLC)7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one7-hydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-methyl-but-2-enyl)-chroman-4-one4H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-, (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one; 4',7-Dihydroxy-5-methoxy-8-(3-methyl-2-butenyl)-flavanone;UNII-B3BXQ4EZD6

데이터베이스 식별자

CAS: 70872-29-6、72247-79-1
PubChem CID: 513197
ChEMBL: CHEMBL492828
ChEBI: CHEBI:171798
EC Number: 805-345-8
Nikkaji: J120.928K

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 76 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 26
형식 전하: 0
복잡도: 518

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 196 · 196-208℃
끓는 점: 585.8 · 585.8±50.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · 2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: powder to crystal
산도 계수 (pKa): 7.9 · 7.90±0.40(Predicted)
색상: White to Orange to Green
LogP: 5.07 · 5.070 (est)

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

HS 번호: 29329990

화학 및 산업

응용 분야

용도(-)-Isoxanthohumol is a structural analog of xanthohumol that possesses anti-microbial activity. Also, it exhibits diverse biological activities, e.g. antitumor, antiiflammatory, antioxidant and antiangiogenic.

공급사50 곳

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湖北万得化工有限公司15377098680 15377098680 · [email protected]

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

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