General Information of the Compound
| Compound ID |
CP0439357
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| Compound Name |
(5S,14R,19S,28R)-10,23-dimethoxy-4,4,29,29-tetramethyl-3,7,26,30-tetraoxaheptacyclo[16.12.0.0^{2,15}.0^{5,14}.0^{8,13}.0^{19,28}.0^{20,25}]triaconta-1(18),2(15),8(13),9,11,20(25),21,23-octaene-16,17-dione
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| Structure |
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| Formula |
C32H32O8
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| Molecular Weight |
544.6
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| Canonical SMILES |
COc1ccc2[C@H]3[C@@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21
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| InChI |
InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-
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| InChIKey |
GHBOEFUAGSHXPO-XZOTUCIWSA-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