General Information of the Compound
| Compound ID |
CP0451583
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| Compound Name |
[(1R,2S,3S,5S,6R,7R,8S,9S,10R,11S,12S,13R,15R)-2,8,10,12-tetraacetyloxy-9-benzoyloxy-6-hydroxy-3,7,13-trimethyl-9-prop-1-en-2-yl-14-oxatetracyclo[11.1.1.01,5.06,11]pentadecan-15-yl] benzoate
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| Structure |
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| Formula |
C42H48O14
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| Molecular Weight |
776.832
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| Canonical SMILES |
C[C@H]1C[C@@H]2[C@@]3(O[C@@](C)([C@H]3OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@@](OC(=O)c4ccccc4)([C@@H](OC(C)=O)[C@@H](C)[C@]23O)C(C)=C)[C@H]1OC(C)=O
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| InChI |
InChI=1S/C42H48O14/c1-21(2)41(55-37(48)29-18-14-11-15-19-29)33(51-25(6)44)23(4)40(49)30-20-22(3)32(50-24(5)43)42(30)38(54-36(47)28-16-12-10-13-17-28)39(9,56-42)34(52-26(7)45)31(40)35(41)53-27(8)46/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41-,42+/m0/s1
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| InChIKey |
USLNOOFCHMVHFV-CXQXIBKHSA-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