CAS 12772-57-5|(4R,6R,8R,9Z,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0<sup>6</sup>,<sup>8</sup>]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione|[1aS-(1aR*,2Z,4E,14*,15aR*)]-8-C...

基本信息

化学结构

分子式

C₁₈H₁₇ClO₆

分子量

364.77698

精确质量

364.07136594

电荷

InChI

InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2-,5-3-/t9-,14-,15-/m1/s1

InChIKey

WYZWZEOGROVVHK-WSGSENCDSA-N

Canonic Smiles

C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C/C(=O)Cc2c(C(=O)O1)c(O)cc(c2Cl)O

Isomeric Smiles

C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C/C(=O)Cc2c(c(cc(c2Cl)O)O)C(=O)O1

计算属性

JChem

Acid pKa

7.022605

质子受体

质子供体

LogD (pH = 5.5)

3.6637928

LogD (pH = 7.4)

3.1545846

Log P

3.6765287

摩尔折射率

93.5609

极化性

35.18881

极化表面积

96.36

可自由旋转的化学键

里宾斯基五规则

true

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC传统名

(4R,6R,8R,9Z,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

别名

[1aS-(1aR*,2Z,4E,14*,15aR*)]-8-Chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dioneRadicicol from Diheterospora chlamydosporiaMonorden

IUPAC标准名

(4R,6R,8R,9Z,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

数据登录号

化合物性质

理化性质

溶解度

ethanol: soluble10 mg/mL

外观

yellow solid

药理学性质

相关基因信息

human ... HSP90AA1(3320), SRC(6714)rat ... Src(83805)

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Sigma Aldrich

R2146

Biochem/physiol Actions
Antifungal macrolactone antibiotic that inhibits protein tyrosine kinase. Radicicol induces the differentiation of HL-60 cells into macrophages, blocking cell cycle at G1 and G2. It suppresses NIH 3T3 cell transformation by diverse oncogenes such as src, ras and mos and also suppresses the expression of mitogen-inducible cyclooxygenase-2. As a cell differentiation modulator, radicicol has anti-angiogenic activity in vivo, inhibiting the proliferation of and plasminogen activator production by vascular endothelial cells.
Caution
Photosensitive

描述信息

参考文献

PubChem文献

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生物活性

PubChem BioAssay

生物活性

数据来源

学术数据

产品目录

名称和标识

IUPAC传统名

(4R,6R,8R,9Z,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

别名

[1aS-(1aR*,2Z,4E,14*,15aR*)]-8-Chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dioneRadicicol from Diheterospora chlamydosporiaMonorden

IUPAC标准名

(4R,6R,8R,9Z,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

化合物性质