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6-[(3-Butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one

HCID 442901
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기본 정보

CAS
65792-05-4
표준 SMILES
CCCC(=O)c1c(O)c(C[C@]2(C)C(=O)C(C(=O)[C@H](C)CC)=C(O)C(C)=C2O)c(O)c(C)c1OC
InChIKey
NQGCBDWQKDAGTK-RYZVSIALSA-N
분자식
C26H34O8
평균 분자량
474.55 g/mol
단동위원소 질량
474.22536805

이름 및 식별자

우선 이름
6-[(3-Butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
IUPAC
(6S)-6-[(3-Butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-[(2R)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
영어명
AGRIMOPHOL
분자식
C26H34O8
분자량
474.54

이름 및 동의어

AGRIMOPHOLAgrimophol(um)AGRIMOPHOL USP/EP/BP2,4-CYCLOHEXADIEN-1-ONE,6-[[2,6-DIHYDROXY-4-METHOXY-3-METHYL-5-(1-OXOBUTYL)PHENYL]METHYL]-3,5-DIHYDROXY-4,6-DIMETHYL-2-(2-METHYL-1-OXOBUTYL)-2,4-Cyclohexadien-1-one, 6-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-AGRIMOPHOL: 2,4-CYCLOHEXADIEN-1-ONE,6-[[2,6-DIHYDROXY-4-METHOXY-3-METHYL-5-(1-OXOBUTYL)PHENYL]METHYL]-3,5-DIHYDROXY-4,6-DIMETHYL-2-(2-METHYL-1-OXOBUTYL)-,

데이터베이스 식별자

CAS
65792-05-4
PubChem CID
442901
DTXSID
DTXSID20984297
ChEBI
CHEBI:2518
Nikkaji
J2.774.592J

물성

물리화학적 성질

끓는 점
138.5 · 138.5-139.0 °C
밀도
1.265 · 1.265±0.06 g/cm3(Predicted)
산도 계수 (pKa)
4.5 · 4.50±1.00(Predicted)
LogP
4.892 · 4.892 (est)

화학 및 산업

응용 분야 · 2건

개요This substance is the active ingredient of agrimony, the dry part above the ground of Agrimonia pilosa Ledeb, which is distributed in most areas of China. Its same generic plants include Agrimonia pilosa Ldb. var. nepalensis (D.Don) Nakai, Agrimonia nipponica Koidz. var. occidentalis Skalicky, Agrimonia coreana Nakai, and Agrimonia eupatoria Linn. subsp. asiatica (Juzep.) Skalicky. In recent years, the role of agrimony in the treatment of cancer diseases and other aspects of attention has gradually attracted much attention.Agrimony also contains volatile oil, trace elements, agrimarin, agrimus lactone, tannin, sterols, organic acids, phenolic compounds, flavonoids and glycosides, and other compounds. Among them, the phenolic compounds mainly contain agrimony A, agrimony B, agrimony C, agrimony D, agrimony E, agrimony, pseudoephedrine, and so on.

역사In folk medicine, the whole agrimony was used to stop bleeding and inflammation sterilization; its rhizome was used to treat intestinal bloody flux, the radical bud to expelling tenia. The clinical application and pharmacological studies have shown that agrimony root has a broad spectrum of anthelmintic effect with high activity and low toxicity.In the early 1970s, the Chinese scientists used lime milk extraction method or petroleum ether as a solvent to separate the extract from the grass buds and further extracted the main ingredient, agrimophol . Animal experiments and clinical applications show that the agrimophol has a broad spectrum of anthelmintic effect with high efficacy, as well as the function of killing schistosomiasis.The chemical structure of agrimophol was determined, and the synthesis was realized . It is synthesized from methyl phloroglucinol.Recent studies have shown that agrimophol has a significant anticancer effect .

공급사3 곳

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