시그모이딘B3'-메틸에테르
sigmoidin B 3'-methyl ether
기본 정보
- CAS
114340-00-0- 표준 SMILES
COc1c(O)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1CC=C(C)C- InChIKey
UYGBXGAZUCKDDV-SFHVURJKSA-N- 분자식
- C21H22O6
- 평균 분자량
- 370.4 g/mol
- 단동위원소 질량
- 370.14163842
개요
Sigmoidin B 3'-methyl ether has been reported in Erythrina velutina, Erythrina burttii, and other organisms with data available.
이름 및 식별자
- 우선 이름
- sigmoidin B 3'-methyl ether
- IUPAC
- (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
- 현지명
- 시그모이딘B3'-메틸에테르
- 영어명
- Sigmoidin B 3'-methyl ether
- 분자식
- C21H22O6
- 분자량
- 370.4
이름 및 동의어
SBMET114340-00-0Sigmoidin B 3'-methyl etherDTXSID70150708(2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl)-2,3-dihydrochromen-4-oneRefChem:182816DTXCID70731992,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-5-methoxy-3-(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)phenyl)-, (S)-SCHEMBL30066903
이름 더 보기
시그모이딘B3'-메틸에테르4'-O-Methylsigmoidin4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-, (2S)-
AP-519/40803402(2S)-5,7-Dihydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-4H-1-benzopyran-4-one
데이터베이스 식별자
- CAS
114340-00-0- PubChem CID
- 3082688
- DTXSID
DTXSID70150708- Nikkaji
- J997.395H
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 557
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