General Information of the Compound
| Compound ID |
CP0077615
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| Compound Name |
3R14S-OCHRATOXIN A
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| Synonyms |
(-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine
303-47-9
3R14S-OCHRATOXIN A
Antibiotic 9663
C20H18ClNO6
CHEBI:7719
N-(((3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine
NCI-C56586
NSC 201422
OCHRATOXIN A
OTA
Ochratoxin A
Ochratoxin A, aspergillus ochraceus
Ochratoxin A-BSA conjugate from Aspergillus ochraceus
Phenylalanine - ochratoxin A
RWQKHEORZBHNRI-BMIGLBTASA-N
UNII-1779SX6LUY
ochratoxin A
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| Structure |
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| Formula |
C20H18ClNO6
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| Molecular Weight |
403.818
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| Canonical SMILES |
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(O)c2C(=O)O1
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| InChI |
InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
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| InChIKey |
RWQKHEORZBHNRI-BMIGLBTASA-N
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| CAS |
303-47-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02209, Organic anion transporter 3
Protein ID: PT04064, Solute carrier family 22 member 6
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Protein ID: PT06163, Solute carrier organic anion transporter family member 1A3
Clinical Information about the Compound