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iGMDRD207

Canonical SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Capsaicin	CHEMBL294199	1548940	DB06774	Alone	Small Molecule

Drug Class:

Alkaloids Alkenes Alkynes Amides Anesthetics Anesthetics, Local Antipruritics Basic Lotions and Liniments Benzene Derivatives Capsaicin and Similar Agents Catechols COX Inhibitors COX-2 Inhibitors Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Dermatologicals Fatty Acids Fatty Acids, Monounsaturated Fatty Acids, Unsaturated Heterocyclic Compounds Hydrocarbons Hydrocarbons, Acyclic Hydrocarbons, Aromatic Hydrocarbons, Cyclic Lipids Musculo-Skeletal System Nervous System Peripheral Nervous System Agents Phenols Polyunsaturated Alkamides Sensory System Agents Solanaceous Alkaloids Topical Products for Joint and Muscular Pain

Drug Targets:

TRPV1 (Q8NER1)PHB2 (Q99623)

Drug Pathways:

Phenylalanine metabolism Biosynthesis of plant secondary metabolites Biosynthesis of alkaloids derived from shikimate pathway Metabolic pathways Biosynthesis of secondary metabolites Inflammatory mediator regulation of TRP channels

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
7074	TIAM1	2
21	ABCA3	3
5933	RBL1	1
57554	LRRC7	1
3845	KRAS	2
3326	HSP90AB1	1
7253	TSHR	3
7158	TP53BP1	1
55728	N4BP2	1
9693	RAPGEF2	2
2042	EPHA3	2
5330	PLCB2	1
114548	NLRP3	2
54899	PXK	1
7486	WRN	2
8714	ABCC3	1
80312	TET1	3
9472	AKAP6	1
51433	ANAPC5	1
8148	TAF15	1
53942	CNTN5	2
5336	PLCG2	1
6794	STK11	1
3000	GUCY2D	1
9639	ARHGEF10	1
84075	FSCB	2
7204	TRIO	1
340533	NEXMIF	2
1000	CDH2	1
10565	ARFGEF1	3
10155	TRIM28	1
5789	PTPRD	1
29951	PDZRN4	3
91754	NEK9	3
673	BRAF	3
9509	ADAMTS2	4
23476	BRD4	1
10111	RAD50	2
53353	LRP1B	1
3624	INHBA	3
5587	PRKD1	3
6196	RPS6KA2	1
51167	CYB5R4	1
2073	ERCC5	1
4040	LRP6	3
23112	TNRC6B	1
5624	PROC	3

Gene in drug-gene network: Network Plot

Models in Capsaicin

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