Details of the Drug-Related molecule(s) Interaction Atlas

Beta-ionone Drug Info

BETA-IONONE; beta-Cyclocitrylideneacetone; beta-E-Ionone; trans-beta-Ionone; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; (E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one; (E)-beta-Ionone; .beta.-Ionone; 14901-07-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 79-77-6; NSC 402758; UNII-A7NRR1HLH6

Cross-matching ID

PubChem CID

638014

ChEBI ID

CHEBI:32325

CAS Number

CAS 79-77-6

TTD Drug ID

DM6QV8A

INTEDE Drug ID

DR2614

General Information of Drug (ID: DM6QV8A)

Molecule-Related Drug Atlas

Molecule Type:

DME

DOT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

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Drug(s) Affected By Cyclin-dependent kinase 4 (CDK4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Palbociclib	DMD7L94	Breast cancer	2C60-2C65	Approved	[12]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Selenium	DM25CGV	N. A.	N. A.	Approved	[14]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[15]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[17]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[18]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[19]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[21]
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Drug(s) Affected By G1/S-specific cyclin-D1 (CCND1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Indomethacin	DMSC4A7	Bursitis		Approved	[22]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[23]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[24]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[25]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[26]
Talazoparib	DM1KS78	Breast cancer	2C60-2C65	Approved	[27]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[28]
Selenium	DM25CGV	N. A.	N. A.	Approved	[29]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[30]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[31]
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Drug(s) Affected By Cyclin-dependent kinase 2 (CDK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[32]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[33]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[34]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[35]
Selenium	DM25CGV	N. A.	N. A.	Approved	[14]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[36]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[37]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[38]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[17]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[19]
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Drug(s) Affected By Caspase-3 (CASP3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[39]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[40]
Lovastatin	DM9OZWQ	Arteriosclerosis	BD40	Approved	[41]
Cidofovir	DMA13GD	Cytomegalovirus infection	1D82	Approved	[42]
Docetaxel	DMDI269	Advanced cancer	2A00-2F9Z	Approved	[43]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[44]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[45]
Mannitol	DMSCDY9	Bronchiectasis	CA24	Approved	[46]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[47]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[48]
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Drug(s) Affected By Apoptosis regulator BAX (BAX)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[49]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[48]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[50]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[51]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[52]
Leuprorelin acetate	DM15HAT	Prostate cancer	2C82.0	Approved	[53]
Talazoparib	DM1KS78	Breast cancer	2C60-2C65	Approved	[27]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[54]
Meloxicam	DM2AR7L	Arthritis	FA20	Approved	[55]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[36]
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Drug(s) Affected By Poly polymerase 1 (PARP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[50]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[56]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[57]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[58]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[59]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[36]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[59]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[60]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[61]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[62]
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Drug(s) Affected By Apoptosis regulator Bcl-2 (BCL2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[49]
Docetaxel	DMDI269	Advanced cancer	2A00-2F9Z	Approved	[63]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[64]
Gemcitabine	DMSE3I7	Anterior urethra cancer		Approved	[65]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[66]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[50]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[51]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[67]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[68]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[24]
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Drug(s) Affected By Lamin-B1 (LMNB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[69]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[70]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[71]
Cladribine	DM3JDRP	Hairy cell leukaemia	2A82.2	Approved	[72]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[73]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[74]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[75]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[76]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[76]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[77]
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Drug(s) Affected By Mitogen-activated protein kinase 3 (MAPK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[78]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[79]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[80]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[68]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[81]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[82]
Secobarbital	DM14RF5	Epilepsy	8A60-8A68	Approved	[83]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[84]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[85]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[86]
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Drug(s) Affected By Mitogen-activated protein kinase 1 (MAPK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[87]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[79]
Carvedilol	DMHTEAO	Chronic heart failure	BD1Z	Approved	[88]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[89]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[90]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[78]
Urokinase	DM0GOUD	Myocardial infarction	BA41-BA43	Approved	[66]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[91]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[68]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[81]
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Drug(s) Affected By Caspase-9 (CASP9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lovastatin	DM9OZWQ	Arteriosclerosis	BD40	Approved	[92]
Mannitol	DMSCDY9	Bronchiectasis	CA24	Approved	[93]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[50]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[67]
Leuprorelin acetate	DM15HAT	Prostate cancer	2C82.0	Approved	[53]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[94]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[58]
Meloxicam	DM2AR7L	Arthritis	FA20	Approved	[95]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[96]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[97]
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Drug(s) Affected By Serine/threonine-protein kinase STK11 (STK11)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[98]
Selenium	DM25CGV	N. A.	N. A.	Approved	[29]
Ergotidine	DM78IME	Osteoarthritis	FA00-FA05	Approved	[99]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[100]
2-deoxyglucose	DMIAHVU	Solid tumour/cancer	2A00-2F9Z	Approved	[101]
Pioglitazone	DMKJ485	Amyotrophic lateral sclerosis	8B60.0	Approved	[102]
Arsenic	DMTL2Y1	N. A.	N. A.	Approved	[103]
Resveratrol	DM3RWXL	Giant cell arteritis	4A44.2	Phase 3	[104]
APR-246	DMNFADH	Ovarian cancer	2C73	Phase 2	[105]
GDC-0980/RG7422	DMF3MV1	Non-hodgkin lymphoma	2B33.5	Phase 2	[106]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 109B1 (cyp109)	DE06B47	U5U1Z3_BACIU	Substrate	[1] , [2]
Cytochrome P450 101B1 (cyp101)	DEKYTSB	Q2G637_NOVAD	Substrate	[3] , [4]
Cytochrome P450 101C1 (cyp101)	DEGJFHV	Q2G637_NOVAD	Substrate	[3] , [5]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[6]
Apoptosis regulator Bcl-2 (BCL2)	OT9DVHC0	BCL2_HUMAN	Gene/Protein Processing	[7]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Protein Interaction/Cellular Processes	[6]
Caspase-9 (CASP9)	OTD4RFFG	CASP9_HUMAN	Protein Interaction/Cellular Processes	[8]
Cyclin-dependent kinase 2 (CDK2)	OTB5DYYZ	CDK2_HUMAN	Gene/Protein Processing	[9]
Cyclin-dependent kinase 4 (CDK4)	OT7EP05T	CDK4_HUMAN	Gene/Protein Processing	[9]
G1/S-specific cyclin-D1 (CCND1)	OT8HPTKJ	CCND1_HUMAN	Gene/Protein Processing	[9]
Lamin-B1 (LMNB1)	OT100T3P	LMNB1_HUMAN	Post-Translational Modifications	[10]
Mitogen-activated protein kinase 1 (MAPK1)	OTH85PI5	MK01_HUMAN	Post-Translational Modifications	[11]
Mitogen-activated protein kinase 3 (MAPK3)	OTCYKGKO	MK03_HUMAN	Post-Translational Modifications	[11]

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