General Information of the Compound
| Compound ID |
CP0390127
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| Compound Name |
[(1R)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-10,13-dimethyl-12-[(E)-3-phenylprop-2-enoyl]oxy-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2-hydroxybenzoate
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| Structure |
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| Formula |
C37H44O9
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| Molecular Weight |
632.75
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| Canonical SMILES |
C[C@@H](OC(=O)c1ccccc1O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21O)OC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C37H44O9/c1-23(45-32(41)27-11-7-8-12-28(27)39)35(42)19-20-37(44)34(35,3)30(46-31(40)14-13-24-9-5-4-6-10-24)22-29-33(2)17-16-26(38)21-25(33)15-18-36(29,37)43/h4-15,23,26,29-30,38-39,42-44H,16-22H2,1-3H3/b14-13+/t23-,26+,29-,30-,33+,34-,35-,36+,37-/m1/s1
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| InChIKey |
ZVDPEIMTRVDMGK-PONJDJETSA-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