라카산A

laccaic acid A

HCID 5491415
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기본 정보

CAS
15979-35-8
표준 SMILES
CC(=O)NCCc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1
InChIKey
IHLWXZNPOVMUFQ-UHFFFAOYSA-N
분자식
C26H19NO12
평균 분자량
537.4 g/mol
단동위원소 질량
537.09072504

개요

Laccaic acid A is a tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-acetamidoethyl)-2-hydroxyphenyl group at position 7. The major component of LAC dye together with laccaic acids B, C and D. It has a role as a dye, an animal metabolite and an EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor. It is a polyphenol, an acetamide, an oxo dicarboxylic acid and a tetrahydroxyanthraquinone.

이름 및 식별자

우선 이름
laccaic acid A
IUPAC
7-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acid
현지명
라카산A
영어명
LACCAIC ACID A
분자식
C26H19NO12
분자량
537.43

이름 및 동의어

LACCAIC ACID A15979-35-8CHEBI:90186RefChem:10883167-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxoanthracene-1,2-dicarboxylic acidCHEMBL20373787-(5-(2-acetamidoethyl)-2-hydroxyphenyl)-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid7-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acidLaccacid Acid Aorb1702120SCHEMBL2134468
이름 더 보기
라카산ALACCAIC ACID A STANDARD7-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxoanthracene-1,2-dicarboxylicaci7-[5-[2-(Acetylamino)ethyl]-2-hydroxyphenyl]-9,10-dihydro-3,5,6,8-tetrahydroxy-9,10-dioxo-1,2-anthracenedicarboxylic acid7-[2-Hydroxy-5-[2-(acetylamino)ethyl]phenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracenedicarboxylic acid1,2-Anthracenedicarboxylic acid, 7-[5-[2-(acetylamino)ethyl]-2-hydroxyphenyl]-9,10-dihydro-3,5,6,8-tetrahydroxy-9,10-dioxo-
SCHEMBL31456216DTXSID00936173BDBM50384789AKOS040746972CCG-214262NCGC00263986-013-[3-(2-acetamidoethyl)-6-hydroxyphenyl]-1,2,4,7-tetrahydroxyanthraquinone-5,6-dicarboxylic acidDA-74866

데이터베이스 식별자

CAS
15979-35-8
PubChem CID
5491415
DTXSID
DTXSID00936173
ChEMBL
CHEMBL2037378
ChEBI
CHEBI:90186
Nikkaji
J364.565G

물성

구조 계산 물성

XLogP
3
극성 표면적
239 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
12
회전 가능 결합 수
6
무거운 원자 수
39

실험 및 물리화학적 성질

Collision Cross Section218.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

화학 및 산업

공급사6 곳

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
추가 설명 · 1건

정의ChEBI: A tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-acetamidoethyl)-2-hydroxyphenyl group at position 7. The major component of LAC dye together with l ccaic acids B, C and D

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