General Information of the Compound
Compound ID |
CP0026997
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Compound Name |
Alternariol
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Structure |
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Formula |
C14H10O5
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Molecular Weight |
258.229
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Canonical SMILES |
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
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InChI |
InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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InChIKey |
CEBXXEKPIIDJHL-UHFFFAOYSA-N
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CAS |
641-38-3
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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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ChEMBL ID |
Table of Molecular Bioactivities Related to the Compound