2,5-dihydroxy-3-undecyl-1,4-benzoquinone, embelin, potassium embelate
| Name | Embelin | ||
| PubChem CID | 3218 | ||
| Molecular Weight | 294.4g/mol | ||
| Synonyms |
2,5-dihydroxy-3-undecyl-1,4-benzoquinone, embelin, potassium embelate |
||
| Formula | C₁₇H₂₆O₄ | ||
| SMILES | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O | ||
| InChI | 1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3 | ||
| InChIKey | IRSFLDGTOHBADP-UHFFFAOYSA-N | ||
| CAS Number | 550-24-3 | ||
| ChEMBL ID | CHEMBL221137 | ||
| ChEBI ID | CHEBI:4778 | ||
| Herb ID | HBIN025026 | ||
| KEGG ID | C10342 | ||
| Toxicity | Organism | Test Type | Route(Dose) |
| rat | LD50 | intraperitoneal(165 mg/kg) | |
| mouse | LD50 | intraperitoneal(254 mg/kg) | |
| rat | LD50 | oral(322 mg/kg) | |
| Structure | 
|
Download
2D
MOL
3D
MOL
|
|
| Chineses Pinyin | WeiLingXian | ||
| Use Part | Root, Rhizome | ||
| Habitat | LiaoNing, JiLin, HeiLongJiang, ShanDong | ||
| Flavor | Pungent, Salty | ||
| Meridian Tropism | Bladder | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ranunculales
-->Family: Ranunculaceae
-->Genus: Clematis
-->Species: Clematis chinensis
|
||
| Chineses Pinyin | QianNiuZi | ||
| Use Part | Seed | ||
| Habitat | China | ||
| Flavor | Bitter | ||
| Meridian Tropism | Lung, Kidney, Large intestine | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Solanales
-->Family: Convolvulaceae
-->Genus: Ipomoea
-->Species: Ipomoea nil
|
||
| Chineses Pinyin | AiDiCha | ||
| Use Part | Whole Herb | ||
| Habitat | HuNan, JiangXi, ZheJiang, FuJian, GuangDong, GuiZhou, YunNan, HaiNan, XiZang, TaiWan | ||
| Flavor | Pungent, Mildly bitter | ||
| Chineses Pinyin | ChiYeTieZi | ||
| Habitat | SiChuan, GuiZhou, YunNan, XiZang, ChongQing, HuBei, HuNan, GuangDong, GuangXi, XiZang | ||
| Flavor | Bitter, Sour | ||
| Meridian Tropism | Stomach, Large intestine | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ericales
-->Family: Primulaceae
-->Genus: Myrsine
-->Species: Myrsine semiserrata
|
||
| Chineses Pinyin | ZhuShaGen | ||
| Use Part | Root, Leaf | ||
| Habitat | XiZang, HuBei | ||
| Flavor | Mildly bitter, Pungent | ||
| Meridian Tropism | Lung, Liver | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ericales
-->Family: Primulaceae
-->Genus: Ardisia
-->Species: Ardisia crenata
|
||
| Chineses Pinyin | LaZhuGuo | ||
| Habitat | GuangXi, GuangDong, FuJian | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ericales
-->Family: Primulaceae
-->Genus: Aegiceras
-->Species: Aegiceras corniculatum
|
||
| Chineses Pinyin | TieZi | ||
| Use Part | Whole Herb, Leaf, Root, Branch | ||
| Habitat | GanSu, Shaanxi, HuBei, HuNan, SiChuan, GuiZhou, YunNan, XiZang, GuangXi, TaiWan | ||
| Flavor | Bitter, Astringent, Mildly sweet | ||
| Meridian Tropism | Large intestine, Spleen, Lung | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ericales
-->Family: Primulaceae
-->Genus: Myrsine
-->Species: Myrsine africana
|
||
| Chineses Pinyin | SuanTengZi | ||
| Use Part | Root or vine | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ericales
-->Family: Primulaceae
-->Genus: Embelia
-->Species: Embelia laeta
|
||
| Pair Name | Embelin, Venetoclax | |||
| Partner Name | Venetoclax | |||
| Disease Info | [ICD-11: 2A60.Z] | Acute myeloid leukemia | Investigative | |
| Biological Phenomena | Induction-->Apoptosis | |||
| Gene Regulation | Down-regulation | Expression | BCL2 | hsa596 |
| Down-regulation | Expression | XIAP | hsa331 | |
| In Vitro Model | MOLM-13 | Adult acute myeloid leukemia | Homo sapiens (Human) | CVCL_2119 |
| MV4-11 | Childhood acute monocytic leukemia | Homo sapiens (Human) | CVCL_0064 | |
| OCI-AML-3 | Adult acute myeloid leukemia | Homo sapiens (Human) | CVCL_1844 | |
| Kasumi-1 | Childhood acute myeloid leukemia with maturation | Homo sapiens (Human) | CVCL_0589 | |
| Result | The inhibition of both apoptosis inhibitory players, BCL2 and XIAP, by venetoclax and embelin, respectively, potentiated their cytotoxic effects in AML cell lines. | |||
| Pair Name | Embelin, TRAIL | |||
| Partner Name | TRAIL | |||
| Disease Info | [ICD-11: 2C60] | Breast cancer | Investigative | |
| Biological Phenomena | Induction-->ROS generation | |||
| Gene Regulation | Down-regulation | Expression | XIAP | hsa331 |
| Down-regulation | Expression | SOD1 | hsa6647 | |
| Down-regulation | Expression | MAPK3 | hsa5595 | |
| In Vitro Model | SUM149PT | Breast inflammatory carcinoma | Homo sapiens (Human) | CVCL_3422 |
| Result | Embelin primes IBC cells for TRAIL-mediated apoptosis by its direct action on the anti-caspase activity of XIAP and by shifting the cellular redox balance toward oxidative stress–mediated apoptosis | |||
| No. | Title | Href |
|---|---|---|
| 1 | Embelin potentiates venetoclax-induced apoptosis in acute myeloid leukemia cells. Toxicol In Vitro. 2021 Oct;76:105207. doi: 10.1016/j.tiv.2021.105207. | Click |
| 2 | XIAP inhibition and generation of reactive oxygen species enhances TRAIL sensitivity in inflammatory breast cancer cells. Mol Cancer Ther. 2012;11(7):1518-1527. doi:10.1158/1535-7163.MCT-11-0787 | Click |
