Auriculin
기본 정보
- CAS
30431-68-6- 표준 SMILES
COc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)c(O)c1- InChIKey
VQGWUEFARIAFPF-UHFFFAOYSA-N- 분자식
- C26H26O6
- 평균 분자량
- 434.5 g/mol
- 단동위원소 질량
- 434.17293854
개요
Auriculin has been reported in Millettia extensa with data available.
이름 및 식별자
- 우선 이름
- Auriculin
- IUPAC
- 5-hydroxy-7-(2-hydroxy-4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
- 영어명
- 5-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:5,4-b']dipyran-4-one
- 분자식
- C26H26O6
- 분자량
- 434.48
이름 및 동의어
AuriculinAuriculin (ketone)30431-68-6DTXSID001845165-hydroxy-7-(2-hydroxy-4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one5-hydroxy-7-(2-hydroxy-4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-oneRefChem:115646DTXCID40107007Auriculatin 4'-methyl ether5-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-balpha ANPSCHEMBL669210
이름 더 보기
Auriculin(ketone)2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(2-hydroxy-4-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)- (8CI,9CI)
LMPK120503165-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:5,4-b']dipyran-4-one5-Hydroxy-7-(2-hydroxy-4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one5-Hydroxy-7-(2-hydroxy-4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-g]chromen-6-one
데이터베이스 식별자
- CAS
30431-68-6- PubChem CID
- 5491651
- DTXSID
DTXSID00184516- Nikkaji
- J91.458D
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 85.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 807
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
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