General Information of the Compound
| Compound ID |
CP0388271
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| Compound Name |
[(1S,8S,10S,11S,12S,13S)-3,12-dihydroxy-4,11-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (E)-3-phenylprop-2-enoate
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| Synonyms |
CHEMBL1097077
N-methylstephisoferulin
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| Structure |
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| Formula |
C28H31NO7
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| Molecular Weight |
493.556
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| Canonical SMILES |
COc1ccc2[C@@H]3C[C@]45N(C)CC[C@]4(C[C@H](OC(=O)\C=C\c4ccccc4)[C@H](O)[C@@]5(OC)O3)c2c1O
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| InChI |
InChI=1S/C28H31NO7/c1-29-14-13-26-15-21(35-22(30)12-9-17-7-5-4-6-8-17)25(32)28(34-3)27(26,29)16-20(36-28)18-10-11-19(33-2)24(31)23(18)26/h4-12,20-21,25,31-32H,13-16H2,1-3H3/b12-9+/t20-,21-,25-,26-,27-,28+/m0/s1
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| InChIKey |
ZPAQRVPCPJNTSC-YZVVQLETSA-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
Clinical Information about the Compound