General Information of the Compound
| Compound ID |
CP0043300
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| Compound Name |
ETHYLSALVINORINB-2-O-MALONATE
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| Structure |
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| Formula |
C26H32O10
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| Molecular Weight |
504.532
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| Canonical SMILES |
CCOC(=O)CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
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| InChI |
InChI=1S/C26H32O10/c1-5-34-19(27)11-20(28)35-17-10-16(23(30)32-4)25(2)8-6-15-24(31)36-18(14-7-9-33-13-14)12-26(15,3)22(25)21(17)29/h7,9,13,15-18,22H,5-6,8,10-12H2,1-4H3/t15-,16-,17-,18-,22-,25-,26-/m0/s1
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| InChIKey |
NSQSBDZVBDVMKE-KRPMOIONSA-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