MetaADEDB 2.0 @ LMMD
Methylcholanthrene
(PPQNQXQZIWHJRB-UHFFFAOYSA-N)
Structure
SMILES
Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1
Molecular Formula:
C21H16
Molecular Weight:
268.352
Log P:
5.5532
Hydrogen Bond Acceptor:
0
Hydrogen Bond Donor:
0
TPSA:
0
CAS Number(s):
56-49-5
Synonym(s)
1.
Methylcholanthrene
2.
20-Methylcholanthrene
3.
3-Methylcholanthrene
4.
20 Methylcholanthrene
5.
3 Methylcholanthrene
External Link(s)
MeSHD008748
PubChem Compound1674
BindingDB181120
ChEBI34342
CHEMBLCHEMBL40583
KEGGcpd:C14470
ZINC1589655
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Adenoma6695378
10545420		CTD
2Arteriosclerosis3142695CTD
3Atherosclerosis11922910CTD
4Carcinoma10545420
21163286		CTD
5Cholestasis1283232CTD
6Edema19043309CTD
7Fibrosarcoma

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10626785
10962813
12549624
14633661
23548910
 		CTD
8Hepatic Encephalopathy12175977
17971093		CTD
9Hyperplasia117197CTD
10Liver Failure, Acute17971093CTD
11Liver Neoplasms, Experimental

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117197
598648
1399818
9140468
 		CTD
12Lung Neoplasms

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1399818
6695378
6927645
7750092
9230183
10545420
11195466
11893704
12015029
15390079
16271038
16337739
17909032
20101149
20512841
20970405
21163286
 		CTD
13Metaplasia21163286CTD
14Micronuclei, Chromosome-Defective

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3764927
6424008
6472309
27163632
 		CTD
15Necrosis5135827CTD
16Neoplasms, Experimental679184CTD
17Neoplasms1934296CTD
18Neurobehavioral Manifestations17971093CTD
19Poisoning9118891CTD
20Precancerous Conditions117197
3167864		CTD
21Prenatal Exposure Delayed Effects6927645
11195466		CTD
22Vaginal Neoplasms3359417CTD
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