General Information of the Compound
| Compound ID |
CP0505690
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| Compound Name |
(3S,4aR,4bS,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-5-oxo-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-2-oxa-phenanthrene-8-carboxylic acid methyl ester
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| Structure |
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| Formula |
C23H28O7
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| Molecular Weight |
416.47
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1=CO[C@@H](C[C@]21C)c1ccoc1
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| InChI |
InChI=1S/C23H28O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11-12,16-18,20H,5,7,9-10H2,1-4H3/t16-,17-,18-,20-,22-,23-/m0/s1
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| InChIKey |
NNRDLAZFVJKJBU-KKPVMHFXSA-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