General Information of the Compound
| Compound ID |
CP0162405
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| Compound Name |
(4-Hydroxy-3-iodo-5-methoxy-phenyl)-acetic acid (2R,3S,3aR,5R,5aR,8bR,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 |
C37H41IO9
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| Molecular Weight |
756.63
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| Canonical SMILES |
COc1cc(CC(=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)cc(I)c1O
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| InChI |
InChI=1S/C37H41IO9/c1-21(2)36-16-23(4)37(46-19-24-9-7-6-8-10-24)27(34(36)45-20-47-36)12-26(17-35(42)30(37)11-22(3)33(35)41)18-44-31(39)15-25-13-28(38)32(40)29(14-25)43-5/h6-14,23,27,30,34,40,42H,1,15-20H2,2-5H3/t23-,27+,30-,34-,35-,36-,37-/m1/s1
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| InChIKey |
ABSOHSGIQKEXPA-XAEYSEGOSA-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