General Information of the Compound
| Compound ID |
CP0257797
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| Compound Name |
2'-epi-Tuberatolide B
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| Structure |
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| Formula |
C27H34O4
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| Molecular Weight |
422.565
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| Canonical SMILES |
CC(C)=CCCC1=C[C@@H](C\C(C)=C\CC[C@@]2(C)Oc3c(C)cc(O)cc3C=C2)OC1=O
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| InChI |
InChI=1S/C27H34O4/c1-18(2)8-6-10-22-17-24(30-26(22)29)14-19(3)9-7-12-27(5)13-11-21-16-23(28)15-20(4)25(21)31-27/h8-9,11,13,15-17,24,28H,6-7,10,12,14H2,1-5H3/b19-9+/t24-,27-/m1/s1
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| InChIKey |
BNWXBVSPPVIYFO-URLCLMEBSA-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