基本情報
- CAS
36190-95-1- 標準SMILES
COc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O- InChIKey
ZMFBGWWGXBNJAC-UHFFFAOYSA-N- 分子式
- C16H12O6
- 平均分子量
- 300.26 g/mol
- 単同位体質量
- 300.0633881
概要
3'-O-methylorobol is a hydroxyisoflavone that is orobol in which the hydroxy group at position 3' has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora. It has a role as a plant metabolite. It is a hydroxyisoflavone and a methoxyisoflavone. It is functionally related to an orobol.
名称と識別子
- 優先名称
- 3'-O-Methylorobol
- IUPAC
- 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
- 現地名
- 3-O-メチルオロボール
- 英語名
- 3''-METHOXYOROBOL
- 分子式
- C16H12O6
- 分子量
- 300.26
名称と別名
3'-O-MethylorobolCHEBI:700325,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-oneRefChem:91049036190-95-1Orobol-3'-methyl ether3'-Methoxy-4',5,7-trihydroxyisoflavone5,7,4'-trihydroxy-3'-methoxyisoflavone3''-METHOXYOROBOL3-Methoxyorobol5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one3'-O-Methoxyorobol
名称をさらに表示
3-O-メチルオロボール-O-Methylorobol4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-
3''''-O-Methylorobol3''-O-METHYLOROBOLCHEMBL241402orb1684853SCHEMBL13730131SCHEMBL30380012SCHEMBL30380427DTXSID001349998
データベース識別子
- CAS
36190-95-1- PubChem CID
- 5319744
- DTXSID
DTXSID001349998- ChEMBL
CHEMBL241402- ChEBI
CHEBI:70032
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 96.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 462
実験および物理化学的性質
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
化学と産業
応用分野
使用3''-Methoxy-4'',5,7-trihydroxyisoflavone is a derivative of Genistein (G350000); a compound that exhibits specific inhibitory activity against tyrosine kinases, including autophosphorylation of epidermal growth factor receptor kinase (IC50 - 2.6uM). Also inhibits other protein kinases through competitive inhibition of ATP. Inhibits tumor cell proliferation and induces tumor cell differentiation. Produces cell-cycle arrest and apoptosis in Jurat T-leukemia cells. However, it prevents anti-CD3 monoclonal antibody-induced thymic apoptosis. Genistein also inhibits topoisomerase II activity in vitro. Genistein has also been shown to inhibit the action of GABA on recombinant GABAA receptors 2.
上流・下流製品情報
下流製品
サプライヤー42 社
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
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