基本情報
- CAS
62596-34-3- 標準SMILES
CC(C)=CC1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4- InChIKey
GDQXJMLXEYSICD-UHFFFAOYSA-N- 分子式
- C25H22O6
- 平均分子量
- 418.4 g/mol
- 単同位体質量
- 418.14163842
概要
Cyclomorusin A is an extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 M), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a platelet aggregation inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a polyphenol, an organic heteropentacyclic compound, a cyclic ketone and an extended flavonoid. It is functionally related to a cyclomulberrin.
名称と識別子
- 優先名称
- Cyclomorusin
- IUPAC
- 11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
- 現地名
- 3,3-ジメチル-6,11-ジヒドロキシ-8-(2-メチル-1-プロペニル)-3H,7H,8H-4,9,14-トリオキサジベンゾ[a,j]アントラセン-7-オン
- 英語名
- Cyclomulberrochromene
- 分子式
- C25H22O6
- 分子量
- 418.44
名称と別名
Cyclomorusin62596-34-3CyclomulberrochromeneCyclomorusin A11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-oneCHEBI:1328686,11-dihydroxy-3,3-dimethyl-8-(2-methylprop-1-en-1-yl)-3H,7H,8H-chromeno[4,3-b]pyrano[2,3-h]chromen-7-one6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 9CI6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-propenyl)-3H,8H-bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo(12.8.0.03,12.04,9.017,22)docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis(1)benzopyrano(4,3-b:6',5'-e)pyran-7-one
名称をさらに表示
シクロモルシンA6,11-ジヒドロキシ-3,3-ジメチル-8-(2-メチル-1-プロペニル)-3H,7H,8H-ビス[1]ベンゾピラノ[4,3-b:6',5'-e]ピラン-7-オン
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 85.2 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 850
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point256 - 257 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 233 · 233-234 °C
- 沸点
- 659.9 · 659.9±55.0 °C(Predicted)
- 比重(密度)
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 溶解性
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 外見
- powder
- 酸解離定数(Pka)
- 6.96 · 6.96±0.60(Predicted)
- 色
- Yellow
化学と産業
薬理情報
Cellular LocationsMembrane
サプライヤー47 社
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
桂林莱科生物科技有限公司18978670903 18107731009 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司
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