Aurasperone C
기본 정보
- CAS
41689-66-1- 표준 SMILES
COc1cc(OC)c2c(O)c3c(c(-c4c(O)cc5cc6c(c(O)c5c4OC)C(=O)CC(C)(O)O6)c2c1)OC(C)(O)CC3=O- InChIKey
BAIJEJFONPISHA-UHFFFAOYSA-N- 분자식
- C31H28O12
- 평균 분자량
- 592.5 g/mol
- 단동위원소 질량
- 592.15807632
개요
Aurasperone C is a dimeric naphtho-gamma-pyrone with formula C31H28O12, originally isolated from Aspergillus niger. It has a role as a marine metabolite and an Aspergillus metabolite. It is a polyphenol, an aromatic ether, a cyclic ketone, a cyclic hemiketal, a biaryl, a naphtho-gamma-pyrone and an aromatic ketone.
이름 및 식별자
- 우선 이름
- Aurasperone C
- IUPAC
- 7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one
- 영어명
- 2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione
- 분자식
- C31H28O12
- 분자량
- 592.54682
이름 및 동의어
Aurasperone C41689-66-1UNII-R0NL28355MR0NL28355M7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-oneCHEBI:1338152,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-10-{2,5,8-TRIHYDROXY-6-METHOXY-2-METHYL-4-OXO-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-7-YL}-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL-2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, (S)-2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI2,2',3,3'-tetrahydro-2,2',5,5',8-Pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho(2,3-b)pyran-4,4'-dione, 9ci2,5-dihydroxy-6,8-dimethoxy-2-methyl-10-(2,5,8-trihydroxy-6-methoxy-2-methyl-4-oxo-2H,3H,4H-naphtho(2,3-b)pyran-7-yl)-2H,3H,4H-naphtho(2,3-b)pyran-4-one
이름 더 보기
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,090
실험 및 물리화학적 성질
Melting Point185 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsMembrane
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