기본 정보
- CAS
1108717-55-0- 표준 SMILES
CC(C)=CCc1cc([C@H]2Oc3c(cc(CC=C(C)C)c(O)c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O- InChIKey
IKKCPYPLJMVWMP-URLMMPGGSA-N- 분자식
- C30H36O5
- 평균 분자량
- 476.6 g/mol
- 단동위원소 질량
- 476.25627424
개요
Lespeflorin B3 is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4' and prenyl groups at positions 6, 8 and 3'. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a metabolite and a melanin synthesis inhibitor. It is a member of 4'-hydroxyflavanones, a secondary alpha-hydroxy ketone, a trihydroxyflavanone and a member of dihydroflavonols. It is functionally related to a (2S)-flavanone.
이름 및 식별자
- 우선 이름
- Lespeflorin B3
- IUPAC
- (2R,3R)-3,7-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
Lespeflorin B3CHEBI:66562(2R,3R)-3,7-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-chromen-4-one(2R,3R)-3,7-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-chromen-4-one(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one(2R,3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneRefChem:1048371CHEMBL549408DTXSID1011021931108717-55-0Q27135175(2R,3R)-2,3-Dihydro-3,7-dihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
데이터베이스 식별자
- CAS
1108717-55-0- PubChem CID
- 25243247
- DTXSID
DTXSID101102193- ChEMBL
CHEMBL549408- ChEBI
CHEBI:66562
물성
구조 계산 물성
- XLogP
- 7.4
- 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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