General Information of the Compound
| Compound ID |
CP0853022
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| Compound Name |
8-hydroxyircinialactam B
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| Structure |
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| Formula |
C27H39NO7
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| Molecular Weight |
489.609
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| Canonical SMILES |
CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCC(C)(O)CCCC2=CC(=O)N(CC(=O)O)C2)OC1=O
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| InChI |
InChI=1S/C27H39NO7/c1-18(8-5-9-19(2)14-22-25(32)20(3)26(33)35-22)10-6-12-27(4,34)13-7-11-21-15-23(29)28(16-21)17-24(30)31/h10,14-15,19,32,34H,5-9,11-13,16-17H2,1-4H3,(H,30,31)/b18-10+,22-14-/t19-,27?/m0/s1
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| InChIKey |
YIDCSRZOFJQWFI-BCHDVVBFSA-N
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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