기본 정보
- 표준 SMILES
CC(C)(O)C1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1- InChIKey
MPYLJLHMKWTFTC-UHFFFAOYSA-N- 분자식
- C20H18O7
- 평균 분자량
- 370.4 g/mol
개요
lupinisoflavone B has been reported in Lupinus albus with data available.
이름 및 식별자
- 우선 이름
- Lupinisoflavone B
- IUPAC
- 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
이름 및 동의어
Lupinisoflavone B6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-5-oneRefChem:15434291681-64-0RL-1SCHEMBL29353703LMPK12050279(2R)-6-(2,4-Dihydroxyphenyl)-2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-fur[3,2-g][1]benzopyran-5-one2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-6-(2,4-dihydroxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one6-(2,4-Dihydroxyphenyl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one #
데이터베이스 식별자
- PubChem CID
- 632835
- Nikkaji
- J397.888E
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 630
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
관련 반응
1건
화합물 노트
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