Morelloflavone
기본 정보
- CAS
1414943-37-5- 표준 SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12- InChIKey
GFWPWSNIXRDQJC-LMSSTIIKSA-N- 분자식
- C30H20O11
- 평균 분자량
- 556.5 g/mol
- 단동위원소 질량
- 556.10056145
개요
(-)-morelloflavone has been reported in Garcinia multiflora, Garcinia cowa, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Morelloflavone
- IUPAC
- 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
이름 및 동의어
MorelloflavoneAX3GA2TK7M8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one8-((2S,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneRefChem:159704FukugetinMorelloflavone, (-)-XH2KXX2C5D1414943-37-58-((2S,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,3R)-(2S,3R)-2'-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)(3,8'-bi-4H-1-benzopyran)-4,4'-dione
이름 더 보기
(2S,3R)-2'-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione(3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,3R)-UNII-AX3GA2TK7MUNII-XH2KXX2C5DSCHEMBL2383075CHEMBL1215433DTXSID60168574BDBM50478419
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,020
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