General Information of the Compound
| Compound ID |
CP0485160
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| Compound Name |
(1R,2S,3S,5R,8R,11R,12R)-5-(furan-3-yl)-12-(methoxymethoxy)-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
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| Structure |
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| Formula |
C22H26O7
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| Molecular Weight |
402.443
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| Canonical SMILES |
COCO[C@@]12C=C[C@@H](OC1=O)[C@H]1[C@]3(C)C[C@@H](OC(=O)[C@@H]3CC[C@@]21C)c1ccoc1
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| InChI |
InChI=1S/C22H26O7/c1-20-10-16(13-6-9-26-11-13)28-18(23)14(20)4-7-21(2)17(20)15-5-8-22(21,19(24)29-15)27-12-25-3/h5-6,8-9,11,14-17H,4,7,10,12H2,1-3H3/t14-,15+,16+,17-,20+,21+,22-/m0/s1
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| InChIKey |
QHXXBUJEXDBGRW-YPIPWNFISA-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