3,4-dihydroxybenzaldehyde, protocatechualdehyde, protocatechualdehyde, 3H-labeled, protocatechualdehyde, formyl-14C-labeled, protocatechuic aldehyde, rancinamycin IV
| Name | Protocatechualdehyde | ||
| PubChem CID | 8768 | ||
| Molecular Weight | 138.12g/mol | ||
| Synonyms |
3,4-dihydroxybenzaldehyde, protocatechualdehyde, protocatechualdehyde, 3H-labeled, protocatechualdehyde, formyl-14C-labeled, protocatechuic aldehyde, rancinamycin IV |
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| Formula | C₇H₆O₃ | ||
| SMILES | C1=CC(=C(C=C1C=O)O)O | ||
| InChI | 1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H | ||
| InChIKey | IBGBGRVKPALMCQ-UHFFFAOYSA-N | ||
| CAS Number | 139-85-5 | ||
| ChEMBL ID | CHEMBL222021 | ||
| ChEBI ID | CHEBI:50205 | ||
| Herb ID | HBIN040905 | ||
| Drug Bank ID | DB11268 | ||
| KEGG ID | C16700 | ||
| 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 | 
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Download
2D
MOL
3D
MOL
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| Chineses Pinyin | DanShen | ||
| Use Part | Root | ||
| Habitat | GanSu, SiChuan, GuiZhou | ||
| Flavor | Bitter | ||
| Meridian Tropism | Heart, Liver | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Lamiales
-->Family: Lamiaceae
-->Genus: Salvia
-->Species: Salvia miltiorrhiza
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| Chineses Pinyin | CaoGuo | ||
| Use Part | Fruit | ||
| Habitat | GuangXi, YunNan, GuiZhou | ||
| Flavor | Pungent | ||
| Meridian Tropism | Spleen, Stomach | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Zingiberales
-->Family: Zingiberaceae
-->Genus: Lanxangia
-->Species: Lanxangia tsao-ko
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| Pair Name | Protocatechualdehyde, Dacarbazine | |||
| Partner Name | Dacarbazine | |||
| Disease Info | [ICD-11: 2C30] | Melanoma | Investigative | |
| Biological Phenomena | Induction-->Apoptosis | |||
| Gene Regulation | Down-regulation | Expression | MGMT | hsa4255 |
| Up-regulation | Expression | H2AX | hsa3014 | |
| Up-regulation | Cleavage | CASP3 | hsa836 | |
| In Vitro Model | A-375 | Amelanotic melanoma | Homo sapiens (Human) | CVCL_0132 |
| SK-MEL-28 | Cutaneous melanoma | Homo sapiens (Human) | CVCL_0526 | |
| Result | Our study demonstrates that the bioactive compound, Protocatechuic aldehyde, synergistically promotes the cytotoxicity of DTIC to melanoma cells through destabilization of MGMT protein. It could be a potential candidate for melanoma chemotherapy. | |||
