General Information of the Compound
| Compound ID |
CP0469254
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| Compound Name |
Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-1-[2-(2-isopropenyloxy-phenyl)-ethyl]-2,4a,11b-triethyl-1,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl}-ethyl ester
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| Structure |
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| Formula |
C41H54O12
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| Molecular Weight |
738.871
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| Canonical SMILES |
C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCc4ccccc4OC(C)=O)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O
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| InChI |
InChI=1S/C41H54O12/c1-23-21-34(51-27(5)44)39(9)33(41(23,47)19-16-30-13-10-11-14-31(30)50-26(4)43)17-18-38(8)32-15-12-20-48-22-40(32,24(2)49-25(3)42)37(53-29(7)46)35(36(38)39)52-28(6)45/h10-15,21,24,32-37,47H,16-20,22H2,1-9H3/t24-,32?,33?,34-,35+,36?,37+,38+,39-,40-,41?/m1/s1
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| InChIKey |
MZCSABJYNOJYOW-XARVIDAQSA-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