General Information of the Compound
| Compound ID |
CP0505177
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| Compound Name |
(2S,3S)-3-hydroxy-2-[(Z,2S,4S,6S,8R)-2,4,6,8-tetrahydroxytetratriacont-21-enyl]-2,3-dihydropyran-6-one
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| Structure |
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| Formula |
C39H72O7
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| Molecular Weight |
652.998
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| Canonical SMILES |
CCCCCCCCCCCC\C=C/CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O
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| InChI |
InChI=1S/C39H72O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(40)29-34(41)30-35(42)31-36(43)32-38-37(44)27-28-39(45)46-38/h13-14,27-28,33-38,40-44H,2-12,15-26,29-32H2,1H3/b14-13-/t33-,34+,35+,36+,37+,38+/m1/s1
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| InChIKey |
IYFVWZYAWMVWIB-ILJMMYCOSA-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