General Information of the Compound
| Compound ID |
CP0518031
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| Compound Name |
[(1S,2S,5S,6R,7R,9S,10S,18R)-5-acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] 3-ethenylbenzoate
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| Structure |
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| Formula |
C38H41NO10
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| Molecular Weight |
671.743
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| Canonical SMILES |
CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
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| InChI |
InChI=1S/C38H41NO10/c1-7-23-10-8-11-24(16-23)34(43)48-30-18-28-36(4,14-13-29(46-22(3)41)37(28,5)20-45-21(2)40)33-32(42)31-27(49-38(30,33)6)17-26(47-35(31)44)25-12-9-15-39-19-25/h7-12,15-17,19,28-30,32-33,42H,1,13-14,18,20H2,2-6H3/t28-,29+,30+,32+,33-,36+,37+,38-/m1/s1
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| InChIKey |
FJCQBLMYDVANLB-DYBHYMMPSA-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
Protein ID: PT01327, Sterol O-acyltransferase 1
Protein ID: PT02407, Sterol O-acyltransferase 2