General Information of the Compound
| Compound ID |
CP0109652
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| Compound Name |
SCHISANDRIN A
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| Synonyms |
(-)-deoxyschisandrin
(-)-dimethylgomisin J
schisandrin A
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| Structure |
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| Formula |
C24H32O6
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| Molecular Weight |
416.514
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| Canonical SMILES |
COc1cc2C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC
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| InChI |
InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
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| InChIKey |
JEJFTTRHGBKKEI-OKILXGFUSA-N
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| CAS |
69176-53-0
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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: PT06109, Geminin
Protein ID: PT02516, Multidrug resistance-associated protein 1
Cell-based Assay
Clinical Information about the Compound