General Information of the Compound
| Compound ID |
CP0567013
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| Compound Name |
3-(4-hydroxy-3-methoxy-phenyl)-propionic 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 |
C38H44O9
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| Molecular Weight |
644.761
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| Canonical SMILES |
COc1cc(CCC(=O)OCC2=C[C@H]3[C@H]4OCO[C@]4(C[C@@H](C)[C@]3(OCc3ccccc3)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O
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| InChI |
InChI=1S/C38H44O9/c1-23(2)37-18-25(4)38(46-21-27-9-7-6-8-10-27)29(35(37)45-22-47-37)16-28(19-36(42)32(38)15-24(3)34(36)41)20-44-33(40)14-12-26-11-13-30(39)31(17-26)43-5/h6-11,13,15-17,25,29,32,35,39,42H,1,12,14,18-22H2,2-5H3/t25-,29+,32-,35-,36-,37-,38-/m1/s1
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| InChIKey |
GCBQDCJPEXCORM-YFCLQSEZSA-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