기본 정보
- CAS
88095-81-2- 표준 SMILES
Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)c(-c4c(O)cc(O)c5c4Oc4c(O)cc(O)c(Oc6cc(O)cc(O)c6)c4O5)c2O3)c1- InChIKey
HBJNTPFHQKXWOY-UHFFFAOYSA-N- 분자식
- C36H22O18
- 평균 분자량
- 742.5 g/mol
- 단동위원소 질량
- 742.08061385
개요
6,6'-bieckol is a phlorotanin that is 1,1'-bioxanthrene substituted by 3,5-dihydroxyphenoxy groups at position 6 and 6' and hydroxy groups at positions 2, 2', 4, 4', 7, 7', 9 and 9' respectively. It is isolated from an edible marine brown alga Ecklonia cava and exhibits antioxidant activity. It has a role as a metabolite, a radical scavenger and an anti-HIV-1 agent. It is an aromatic ether, an oxacycle and a phlorotannin. It is functionally related to a phloroglucinol.
이름 및 식별자
- 우선 이름
- 6,6'-Bieckol
- IUPAC
- 4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol
- 현지명
- 6,6'-비에콜
- 영어명
- 6,6'-bieckol
- 분자식
- C36H22O18
- 분자량
- 742.55
이름 및 동의어
6,6'-Bieckol88095-81-287U82W6IFICHEBI:65496DTXSID502368126,6'-bis(3,5-dihydroxyphenoxy)-1,1'-bioxanthrene-2,2',4,4',7,7',9,9'-octol(1,1'-Bidibenzo(b,e)(1,4)dioxin)-2,2',4,4',7,7',9,9'-octol, 6,6'-bis(3,5-dihydroxyphenoxy)-4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-p-dioxin-1-yl]dibenzo-p-dioxin-1,3,6,8-tetrol4-(3,5-dihydroxyphenoxy)-9-(6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-p-dioxin-1-yl)dibenzo-p-dioxin-1,3,6,8-tetrolRefChem:913655DTXCID80159303CHEMBL502202
이름 더 보기
6,6'-비에콜[1,1'-Bidibenzo[b,e][1,4]dioxin]-2,2',4,4',7,7',9,9'-octol, 6,6'-bis(3,5-dihydroxyphenoxy)-
6,6'-Bis(3,5-dihydroxyphenoxy)-[1,1'-bidibenzo[b,e][1,4]dioxin]-2,2',4,4',7,7',9,9'-octaol4-(3,5-dihydroxyphenoxy)-9-[6-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxyoxanthren-1-yl]oxanthrene-1,3,6,8-tetrol6,6'-bis(3,5-dihydroxyphenoxy)-(1,1'-bidibenzo[b,e][1,4]dioxin)-2,2',4,4',7,7',9,9'-octol6,6''''-Bieckol6,6-BIECKOLUNII-87U82W6IFISCHEMBL1353030SCHEMBL31752936
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 298 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 녹는점
- 300 °C · >300 °C
- 끓는 점
- 1089.5 · 1089.5±65.0 °C(Predicted)
- 밀도
- 1.882 · 1.882±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.94 · 6.94±0.20(Predicted)
화학 및 산업
공급사4 곳
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
추가 설명
정의ChEBI: A phlorotanin that is 1,1'-bioxanthrene substituted by 3,5-dihydroxyphenoxy groups at position 6 and 6' and hydroxy groups at positions 2, 2', 4, 4', 7, 7', 9 and 9' respectively. It is isolated from an edible marine brown alga Ecklonia cava and exhibits antioxidant activity.
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