General Information of the Compound
| Compound ID |
CP0519877
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| Compound Name |
(1S,3R,5R,8Z,12R,13R)-12-hydroxy-5,13-dimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-ene-9-carbaldehyde
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| Structure |
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| Formula |
C20H32O4
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| Molecular Weight |
336.472
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| Canonical SMILES |
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CC\C(C=O)=C\CC[C@@]1(C)O[C@@H]1C2
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| InChI |
InChI=1S/C20H32O4/c1-14(2)20-11-10-18(3,24-20)16(22)8-7-15(13-21)6-5-9-19(4)17(12-20)23-19/h6,13-14,16-17,22H,5,7-12H2,1-4H3/b15-6-/t16-,17-,18-,19-,20+/m1/s1
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| InChIKey |
HFYSQTZIFVBRTC-GAYXFKQASA-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