Parasiloxanthin
기본 정보
- CAS
62994-48-3- 표준 SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1- InChIKey
ZAYHYNGKERKFHJ-DRCJTWAYSA-N- 분자식
- C40H58O2
- 평균 분자량
- 570.9 g/mol
- 단동위원소 질량
- 570.44368109
개요
Parasiloxanthin is a carotenol that is 7,8-dihydro-beta,beta-carotene carrying two hydroxy substituents at positions 3 and 3'. It has a role as a marine metabolite. It is a carotenol and a diol.
이름 및 식별자
- 우선 이름
- Parasiloxanthin
- IUPAC
- (1R)-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
이름 및 동의어
ParasiloxanthinParasiloxanthin-QK9M8U8YHU62994-48-37,8-DihydrozeaxanthinUNII-QK9M8U8YHU(3R,3'R)-7,8-dihydro-beta,beta-carotene-3,3'-diol7,8-Dihydro-beta,beta-carotene-3,3'-diol(1R)-4-((3E,5E,7E,9E,11E,13E,15E,17E)-18-((4R)-4-Hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaenyl)-3,5,5-trimethyl-cyclohex-3-en-1-olbeta,beta-Carotene-3,3'-diol, 7,8-dihydro-, (3R,3'R)-SCHEMBL29934407CHEBI:132452
이름 더 보기
DTXSID201317119LMPR01070092Parasiloxanthin/ 7,8-DihydrozeaxanthinQ63396440(3R,3'R)-7',8'-Dihydro-beta,beta-carotene-3,3'-diol(3R,3'R)-7,8-DIHYDRO-.BETA.,.BETA.-CAROTENE-3,3'-DIOL.BETA.,.BETA.-CAROTENE-3,3'-DIOL, 7,8-DIHYDRO-, (3R,3'R)-(1R)-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
데이터베이스 식별자
- CAS
62994-48-3- PubChem CID
- 16061229
- DTXSID
DTXSID201317119- ChEBI
CHEBI:132452- UNII
- QK9M8U8YHU
- Nikkaji
- J2.902.872I
물성
구조 계산 물성
- XLogP
- 10.9
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,240
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
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