이리스테린A
Iristectorin A
기본 정보
- CAS
37744-61-9- 표준 SMILES
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc1O- InChIKey
HFODKTZIQVSGJO-ZTATXHNCSA-N- 분자식
- C23H24O12
- 평균 분자량
- 492.4 g/mol
개요
iristectorin A has been reported in Iris kemaonensis, Iris domestica, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Iristectorin A
- IUPAC
- 5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 현지명
- 이리스테린A
- 영어명
- Iristectorin A
- 분자식
- C23H24O12
- 분자량
- 492.42946
이름 및 동의어
Iristectorin A37744-61-95-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:1487575-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-oneIristectorinACHEMBL511453LMPK12050394AKOS030530349FI744513-(3-Hydroxy-4-methoxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
이름 더 보기
이리스테린A4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-
DA-64507Q634086455-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
데이터베이스 식별자
- CAS
37744-61-9- ChEMBL
CHEMBL511453- Nikkaji
- J2.165.592I
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 776
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
물리화학적 성질
- 끓는 점
- 813.6 · 813.6±65.0 °C(Predicted)
- 밀도
- 1.582 · 1.582±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.03 · 6.03±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…