기본 정보
- CAS
16851-21-1- 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-PXJZQJOASA-N- 분자식
- C30H20O11
- 평균 분자량
- 556.5 g/mol
- 단동위원소 질량
- 556.10056145
개요
(+)-morelloflavone is a biflavonoid found in Rheedia edulis and Garcinia livingstonei. It has a role as a plant metabolite. It is a hydroxyflavanone, a hydroxyflavone and a biflavonoid.
이름 및 식별자
- 우선 이름
- (+)-Morelloflavone
- IUPAC
- 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
- 현지명
- 모렐로플라본
- 영어명
- morelloflavone
- 분자식
- C30H20O11
- 분자량
- 556.47
이름 및 동의어
(+)-Morelloflavone16851-21-1CHEBI:703318-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one8-((2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-oneRefChem:141619FukugetinDL-Fukugetin(+/-)-FukugetinMorelloflavone, (+/-)-4B2DSN2K2X21945-33-5
이름 더 보기
모렐로플라본(+)-Fukugetin8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-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)-, (2R,3S)-(2S,3R)-3-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-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)-, (2R,3S)-rel-(3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, trans-(+/-)-[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2R,3S)-rel-[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, trans-(+/-)-Rel-(2R,3S)-2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)(3,8'-bi-4H-1-benzopyran)-4,4'-dionerel-(2R,3S)-2'-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dioneMorelloflavone, (+)-UNII-4B2DSN2K2X
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
물리화학적 성질
- 녹는점
- 244 · 244-245 °C (decomp)
- 끓는 점
- 922.7 · 922.7±65.0 °C(Predicted)
- 밀도
- 1.681 · 1.681±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.02 · 6.02±0.40(Predicted)
- InChIKey
- GFWPWSNIXRDQJC-PXJZQJOASA-N
- SMILES
- [C@@H]1(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C2C(=O)[C@H]1C1=C2OC(C3=CC=C(O)C(O)=C3)=CC(=O)C2=C(O)C=C1O
화학 및 산업
추가 설명
정의ChEBI: A biflavonoid found in Rheedia edulis and Garcinia livingstonei.
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