General Information of the Compound
| Compound ID |
CP0445825
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| Compound Name |
1,2;3,14-dianhydro-ginkgolide C
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| Structure |
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| Formula |
C20H20O9
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| Molecular Weight |
404.371
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| Canonical SMILES |
CC1=C2C(OC1=O)=C[C@]13C4OC(=O)[C@@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C
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| InChI |
InChI=1S/C20H20O9/c1-6-8-7(26-13(6)23)5-18-12-9(21)10(17(2,3)4)19(18)11(22)14(24)28-16(19)29-20(8,18)15(25)27-12/h5,9-12,16,21-22H,1-4H3/t9-,10+,11+,12?,16?,18-,19?,20+/m1/s1
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| InChIKey |
HCERBEGEWMAZKD-BBFKBFHISA-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
Protein ID: PT05068, Glycine receptor subunit alpha-1
Protein ID: PT06069, Glycine receptor subunit alpha-2