General Information of the Compound
| Compound ID |
CP0445105
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| Compound Name |
(E)-3-phenyl-acrylic acid (3aR,3bR,4R,5aR,8aR,8bS,11aR)-3b-benzyloxy-11a-hydroxy-5a-isopropenyl-2,4-dimethyl-1-oxo-1,3a,3b,4,5,5a,8a,8b,11,11a-decahydro-6,8-dioxa-indeno[5,4-e]azulen-10-ylmethyl ester
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| Structure |
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| Formula |
C37H40O7
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| Molecular Weight |
596.72
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| Canonical SMILES |
C[C@@H]1C[C@@]2(OCO[C@@H]2[C@@H]2C=C(COC(=O)\C=C\c3ccccc3)C[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]12OCc1ccccc1)C(C)=C
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| InChI |
InChI=1S/C37H40O7/c1-24(2)36-19-26(4)37(43-22-28-13-9-6-10-14-28)30(34(36)42-23-44-36)18-29(20-35(40)31(37)17-25(3)33(35)39)21-41-32(38)16-15-27-11-7-5-8-12-27/h5-18,26,30-31,34,40H,1,19-23H2,2-4H3/b16-15+/t26-,30+,31-,34-,35-,36-,37-/m1/s1
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| InChIKey |
ZFCQHVCDYJVAPV-ZVJULKMUSA-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