InterPAD - DETAILS

4-hydroxy-3-methoxybenzaldehyde, 5-bromovanillin, 5-chlorovanillin, vanillaldehyde, vanillin, vanillin, sodium salt

No.	Title	Href
1	The synergistic effect between vanillin and doxorubicin in ehrlich ascites carcinoma solid tumor and MCF-7 human breast cancer cell line. Pathol Res Pract. 2016 Sep;212(9):767-77. doi: 10.1016/j.prp.2016.06.004.	`Click`
2	Vanillin downregulates NNMT and attenuates NNMT‑related resistance to 5‑fluorouracil via ROS‑induced cell apoptosis in colorectal cancer cells. Oncol Rep. 2021 Jun;45(6):110. doi: 10.3892/or.2021.8061.	`Click`

No.

Title

Href

The synergistic effect between vanillin and doxorubicin in ehrlich ascites carcinoma solid tumor and MCF-7 human breast cancer cell line. Pathol Res Pract. 2016 Sep;212(9):767-77. doi: 10.1016/j.prp.2016.06.004.

Click

Vanillin downregulates NNMT and attenuates NNMT‑related resistance to 5‑fluorouracil via ROS‑induced cell apoptosis in colorectal cancer cells. Oncol Rep. 2021 Jun;45(6):110. doi: 10.3892/or.2021.8061.

Click

Name	Vanillin
PubChem CID	1183
Molecular Weight	152.15g/mol
Synonyms	4-hydroxy-3-methoxybenzaldehyde, 5-bromovanillin, 5-chlorovanillin, vanillaldehyde, vanillin, vanillin, sodium salt
Formula	C₈H₈O₃
SMILES	COC1=C(C=CC(=C1)C=O)O
InChI	1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey	MWOOGOJBHIARFG-UHFFFAOYSA-N
CAS Number	121-33-5
ChEMBL ID	CHEMBL13883
ChEBI ID	CHEBI:18346
Herb ID	HBIN047744
Drug Bank ID	DB10576
KEGG ID	C00755
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	XiangJiaLan
Use Part	Whole herb
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Asparagales 　　　　-->Family: Orchidaceae 　　　　　-->Genus: Vanilla 　　　　　　-->Species: Vanilla planifolia

Pair Name	Vanillin, Fluorouracil
Partner Name	Fluorouracil
Disease Info	[ICD-11: 2B91.Z]	Colorectal cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Expression	NNMT	hsa4837
	Up-regulation	Expression	TP53	hsa7157
	Up-regulation	Cleavage	CASP3	hsa836
	Up-regulation	Cleavage	CASP9	hsa842
	Up-regulation	Cleavage	PARP1	hsa142
	Up-regulation	Phosphorylation	MAPK14	hsa1432
	Up-regulation	Phosphorylation	MAP3K5	hsa4217
In Vitro Model	HT-29	Colon adenocarcinoma	Homo sapiens (Human)	CVCL_0320
In Vitro Model	SW480	Colon adenocarcinoma	Homo sapiens (Human)	CVCL_0546
In Vivo Model	A total of 3×10⁶ cells from each of the SW480/NC and SW480/NNMT cell lines were subcutaneously injected into nude mice (n=5 per cell line).
Result	Vanillin is deemed to be a promising anticancer candidate by inhibiting NNMT and may attenuate NNMT‑induced resistance to 5‑Fu in human CRC therapy with few side effects.

Pair Name	Vanillin, Doxorubicin
Partner Name	Doxorubicin
Disease Info	[ICD-11: 2C60]	Breast cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Up-regulation	Expression	CASP9	hsa842
	Up-regulation	Expression	BAX	hsa581
	Down-regulation	Expression	BCL2	hsa596
In Vitro Model	MCF-7	Invasive breast carcinoma of no special type	Homo sapiens (Human)	CVCL_0031
In Vivo Model	Mice were inoculated with 0.1 ml containing 5×10⁵ viable EAC cells/mice in the right hind limb (thigh) subcutaneously.
Result	Vanillin can be a potential lead molecule for the development of non-toxic agents for the treatment of breast cancer either alone or combined with DOX.