기본 정보
- CAS
901309-50-0- 표준 SMILES
CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](CC(C)=O)C2=CO1- InChIKey
QEPMTPAOVMUVBT-NJCRSHSXSA-N- 분자식
- C22H27ClO4
- 평균 분자량
- 390.9 g/mol
- 단동위원소 질량
- 390.159787
개요
Epi-isochromophilone II is an azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a chloro group at position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3, a hydroxy group at position 7, a methyl group at position 7 and a 2-oxopropyl group at position 8. Isolated from Chaetomium cupreum, it exhibits antifungal activity. It has a role as an antifungal agent and a Chaetomium metabolite. It is a tertiary alpha-hydroxy ketone, an organochlorine compound, an azaphilone, an enone and a methyl ketone.
이름 및 식별자
- 우선 이름
- Epi-isochromophilone II
- IUPAC
- (7R,8S)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
이름 및 동의어
epi-isochromophilone IICHEBI:68700901309-50-0(7R,8S)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-7,8-dihydro-6H-isochromen-6-one(7R,8S)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one(7R,8S)-5-chloro-3-((1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl)-7-hydroxy-7-methyl-8-(2-oxopropyl)-7,8-dihydro-6H-isochromen-6-one(7R,8S)-5-chloro-3-((1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl)-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-oneRefChem:137124CHEMBL4276939SCHEMBL30396001DTXSID301314037Q27137121
이름 더 보기
(7R,8S)-5-Chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-7,8-dihydro-6H-2-benzopyran-6-one
데이터베이스 식별자
- CAS
901309-50-0
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 797
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…