Xanthohumol B
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
189308-10-9- 표준 SMILES
COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)CC(O)C(C)(C)O2- InChIKey
GUQGMEWOCKDLDE-RMKNXTFCSA-N- 분자식
- C21H22O6
- 평균 분자량
- 370.4 g/mol
- 단동위원소 질량
- 370.14163842
개요
Xanthohumol B is a member of the class of chalcones that is (2E)-1-(3,4-dihydro-2H-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one substituted by hydroxy groups at position 3 and 5, a methoxy group at position 7 and geminal methyl groups at position 2. It has been isolated as a racemate from Humulus lupulus and has been shown to exhibit inhibitory activity against nitric oxide production. It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of chalcones, a polyphenol and an aromatic ether.
이름 및 식별자
- 우선 이름
- Xanthohumol B
- IUPAC
- (E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
- 영어명
- Xanthohumol B
- 분자식
- C21H22O6
- 분자량
- 370.4
이름 및 동의어
xanthohumol B189308-10-9(E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-oneCHEBI:66334DTXSID301317586RefChem:195132DTXCID501747393Dehydrocycloxanthohumol hydrate6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone2-Propen-1-one, 1-(3,4-dihydro-3,5-dihydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-, (2E)-CHEMBL520430orb2279387
이름 더 보기
SCHEMBL12961703SCHEMBL29934961LMPK12120299AKOS040735479(2E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-oneFS-10868T125489Q27134882
데이터베이스 식별자
- CAS
189308-10-9- PubChem CID
- 9799506
- DTXSID
DTXSID301317586
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 551
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
물리화학적 성질
- 끓는 점
- 623 · 623.0±55.0 °C(Predicted)
- 밀도
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.27 · 7.27±0.60(Predicted)
화학 및 산업
약리 정보
Cellular LocationsMembrane
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…