MetaADEDB 2.0 @ LMMD
Aflatoxin B1
(OQIQSTLJSLGHID-WNWIJWBNSA-N)
Structure
SMILES
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3
Molecular Formula:
C17H12O6
Molecular Weight:
312.274
Log P:
2.2765
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
0
TPSA:
74.97
CAS Number(s):
1162-65-8; 7220-81-7) & AFLATOXINS (CAS 1402-68-2; 10279-73-9
Synonym(s)
1.
Aflatoxin B1
2.
Aflatoxin B
3.
Aflatoxin B1 Dihydrochloride, (6aR-cis)-Isomer
4.
Aflatoxin B1, (6aR-cis)-Isomer, 14C-Labeled
5.
Aflatoxin B1, (6aR-cis)-Isomer, 2H-Labeled
6.
Aflatoxin B1, (6aR-cis)-Isomer, 3H-Labeled
7.
Aflatoxin B1, cis(+,-)-Isomer
8.
HSDB-3453
9.
NSC-529592
10.
HSDB 3453
11.
HSDB3453
12.
NSC 529592
13.
NSC529592
External Link(s)
MeSHD016604
PubChem Compound186907
BindingDB120261
ChEBI2504
CHEMBLCHEMBL1697694
ZINC402671
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Birth Weight26968497CTD
2Chemical and Drug Induced Liver Injury

View details

1394115
2862719
10469626
19146867
19168568
20112103
20737424
22258563
22331495
23288050
23385219
23397584
23423819
24211421
24472605
28442411
 		CTD
3Chromosome Breakage18347083
28943387		CTD
4Genomic Instability21527772CTD
5Hepatomegaly26260870CTD
6Inflammation23385219CTD
7Lipid Metabolism Disorders23385219CTD
8Liver Neoplasms, Experimental

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1971196
2576472
2857671
6191977
8242872
8603461
21361338
21984479
 		CTD
9Liver neoplasms

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2125692
9163691
15019083
15890375
17400578
18177683
19642212
25058030
 		CTD
10Lung Neoplasms14755239
17400578		CTD
11Micronuclei, Chromosome-Defective27913846
28181396		CTD
12Necrosis23288050
23423819		CTD
13Precancerous Conditions10469626CTD
14Premature Birth26968497CTD
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