3-Hydroxyechinenone
기본 정보
- CAS
4481-36-1- 표준 SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1- InChIKey
DFNMSBYEEKBETA-JZLJSYQFSA-N- 분자식
- C40H54O2
- 평균 분자량
- 566.9 g/mol
- 단동위원소 질량
- 566.41238096
개요
3-Hydroxyechinenone is a xanthophyll.
이름 및 식별자
- 우선 이름
- 3-Hydroxyechinenone
- IUPAC
- (6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
- 영어명
- β,β-Caroten-4-one, 3'-hydroxy-
- 분자식
- C40H54O2
- 분자량
- 566.87
이름 및 동의어
3-HYDROXYECHINENONEDTXSID701347367(6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one(6S)-6-hydroxy-2,4,4-trimethyl-3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohex-2-en-1-one4339-77-9RefChem:1067995DTXCID0017760863S-Hydroxyechinenone(3S)-3-Hydroxy-beta,beta-caroten-4-oneSCHEMBL30197217CHEBI:802153-hydroxy-4-keto-beta,beta-carotene
이름 더 보기
β,β-Caroten-4-one, 3'-hydroxyβ,β-Caroten-4-one, 3'-hydroxy-
LMPR010700973-Hydroxyechinenone/ 3-OH-Echinenone3-OH-Echinenone; 3S-HydroxyechinenoneQ27149329
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 11.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,330
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
물리화학적 성질
- 끓는 점
- 714.2 · 714.2±49.0 °C(Predicted)
- 밀도
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.9 · 14.90±0.70(Predicted)
화학 및 산업
응용 분야
용도3''-Hydroxyechinenone is an antioxidant β-carotene (C184250) found in P. rhodozyma, a red-pigmented fermenting yeast, and has inhibitory effects on the Epstein-Barr virus activation activity of 12-O-tetradecanoylphorbol-13-acetate (TPA) in Raji cells.
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