2,3-디하이드로-2-하이드록시아우라스페론A
Aurasperone E
기본 정보
- CAS
71722-01-5- 표준 SMILES
COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3OC)C(=O)CC(C)(O)O5)c2c1- InChIKey
XQLGSHUQZMPBGG-UHFFFAOYSA-N- 분자식
- C32H28O11
- 평균 분자량
- 588.6 g/mol
- 단동위원소 질량
- 588.16316171
개요
Aurasperone E is an organic heterotricyclic compound and an organooxygen compound.
이름 및 식별자
- 우선 이름
- Aurasperone E
- IUPAC
- 10-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-7-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
- 현지명
- 2,3-디하이드로-2-하이드록시아우라스페론A
- 영어명
- 2,3-Dihydro-2-hydroxyaurasperone A
- 분자식
- C32H28O11
- 분자량
- 588.56
이름 및 동의어
Aurasperone E71722-01-52,3-Dihydro-2-hydroxyaurasperone AUNII-N3TET3875DN3TET3875D2,5-DIHYDROXY-7-{5-HYDROXY-6,8-DIMETHOXY-2-METHYL-4-OXO-4H-BENZO[G]CHROMEN-10-YL}-6,8-DIMETHOXY-2-METHYL-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,3-DIHYDRO-2,5,5'-TRIHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL-(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,3-DIHYDRO-2,5,5'-TRIHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL-, (S)-2,5-dihydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo(g)chromen-10-yl)-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho(2,3-b)pyran-4-oneRefChem:115606Fonsecinone D10-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-7-yl)-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
이름 더 보기
2,3-디하이드로-2-하이드록시아우라스페론A2,5,5'-Trihydroxy-2,3-dihydro-6,6',8,8'-tetramethoxy-2,2'-dimethyl-7,10'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione2,3-Dihydro-2,5,5'-trihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-7,10'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione[7,10'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 2,3-dihydro-2,5,5'-trihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-
MEGxm0_000088ACon0_001058DTXSID20992337CHEBI:169831Q2728451810-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-7-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one2,5,5'-Trihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,3-dihydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione
데이터베이스 식별자
- CAS
71722-01-5、95272-15-4- PubChem CID
- 188114
- DTXSID
DTXSID20992337- ChEBI
CHEBI:169831- UNII
- N3TET3875D
- Nikkaji
- J163.742H
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,110
실험 및 물리화학적 성질
Melting Point166 - 170 °C
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 785.6 · 785.6±60.0 °C(Predicted)
- 밀도
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.06 · 5.06±0.40(Predicted)
화학 및 산업
약리 정보
Cellular LocationsMembrane
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