General Information of the Compound
| Compound ID |
CP0553041
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| Compound Name |
phenyl (8R,9S,10S)-9-hydroxy-3,14,15,16-tetramethoxy-4,5,9,10-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-8-carboxylate
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| Formula |
C31H36O7
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| Molecular Weight |
520.622
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| Canonical SMILES |
COc1cc2C[C@H](C)[C@](C)(O)[C@H](C(=O)Oc3ccccc3)c3cc(C)c(C)c(OC)c3-c2c(OC)c1OC
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| InChI |
InChI=1S/C31H36O7/c1-17-14-22-25(27(35-6)19(17)3)24-20(16-23(34-5)28(36-7)29(24)37-8)15-18(2)31(4,33)26(22)30(32)38-21-12-10-9-11-13-21/h9-14,16,18,26,33H,15H2,1-8H3/t18-,26-,31-/m0/s1
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| InChIKey |
AAFSWZVIMJNAQQ-HBMMOJBUSA-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