기본 정보
- CAS
83474-69-5- 표준 SMILES
CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c3O2)ccc1O- InChIKey
DZDSXIHHFCPPHL-SANMLTNESA-N- 분자식
- C30H36O5
- 평균 분자량
- 476.6 g/mol
- 단동위원소 질량
- 476.25627424
개요
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-6,8-bis(3-methyl-2-butenyl)-, (2S)- has been reported in Euchresta japonica and Amorpha fruticosa with data available.
이름 및 식별자
- 우선 이름
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-6,8-bis(3-methyl-2-butenyl)-, (2S)-
- IUPAC
- (2S)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
이름 및 동의어
83474-69-54H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-6,8-bis(3-methyl-2-butenyl)-, (2S)-DTXSID80232367(2S)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one(2S)-5,7-dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneRefChem:100671DTXCID80154858CHEMBL561642(2S)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6,8-bis(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one(S)-5,7-Dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6,8-bis(3-methylbut-2-en-1-yl)chroman-4-one(2S)-5,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
데이터베이스 식별자
- CAS
83474-69-5- PubChem CID
- 158519
- DTXSID
DTXSID80232367- ChEMBL
CHEMBL561642
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 815
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