8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
기본 정보
- 표준 SMILES
CC(C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)CC(C(C)(C)O)O2- InChIKey
KYQBNYMPQRSMLV-UHFFFAOYSA-N- 분자식
- C24H24O6
- 평균 분자량
- 408.4 g/mol
- 단동위원소 질량
- 408.15728849
개요
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one is a neoflavonoid.
이름 및 식별자
- 우선 이름
- 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one
- IUPAC
- 5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8,9-dihydrofuro[2,3-h]chromen-2-one
이름 및 동의어
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-oneSCHEMBL15944423CHEBI:187580LMPK121000155-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8,9-dihydrouro[2,3-h]chromen-2-one8,9-dihydro-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-isobutyryl-4-phenylfuro[2,3-h]chromen-2-one
데이터베이스 식별자
- ChEBI
CHEBI:187580- Nikkaji
- J2.115.295A
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 719
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Neoflavonoids [PK1210]
화학 및 산업
약리 정보
Cellular LocationsMembrane
관련 반응
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