General Information of the Compound
| Compound ID |
CP0109649
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| Compound Name |
2,6-dimethyl-13-methylcarbonyloxy-(2S)-tricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene-6-carboxylic 2,6-dimethyl-13-methylcarbonyloxy-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene-6-carboxylic anhydride
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| Structure |
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| Formula |
C38H46O7
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| Molecular Weight |
614.779
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| Canonical SMILES |
CC(=O)Oc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CCc1ccc(OC(C)=O)cc21
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| InChI |
InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38?/m1/s1
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| InChIKey |
OUJQRQRBNRGQTC-PWAHEJKMSA-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