General Information of the Compound
| Compound ID |
CP0390129
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| Compound Name |
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
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| Structure |
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| Formula |
C38H50O9
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| Molecular Weight |
650.809
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](OC(=O)\C=C(/C)C(C)C)[C@]5(C)[C@@](O)(CC[C@]5(O)[C@]4(O)CC=C3C2)C(C)=O)cc1
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| InChI |
InChI=1S/C38H50O9/c1-23(2)24(3)20-33(41)47-31-22-30-34(5)16-15-29(46-32(40)13-10-26-8-11-28(45-7)12-9-26)21-27(34)14-17-37(30,43)38(44)19-18-36(42,25(4)39)35(31,38)6/h8-14,20,23,29-31,42-44H,15-19,21-22H2,1-7H3/b13-10+,24-20+/t29-,30+,31+,34-,35+,36+,37-,38+/m0/s1
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| InChIKey |
SEXRIOKVROQFNA-GAKBQJCISA-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