General Information of the Compound
| Compound ID |
CP0473320
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| Compound Name |
(1S,3R,4S,7R,12S,13S,18R,20S,21R)-21-(2-hydroxypropan-2-yl)-3,4,8,8,12,18-hexamethyl-22,23-dioxahexacyclo[18.2.1.01,17.03,16.04,13.07,12]tricosa-14,16-dien-9-one
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| Structure |
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| Formula |
C30H44O4
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| Molecular Weight |
468.678
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| Canonical SMILES |
C[C@@H]1C[C@@H]2O[C@@]3(C[C@@]4(C)C(C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]45C)=C13)O[C@H]2C(C)(C)O
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| InChI |
InChI=1S/C30H44O4/c1-17-15-19-24(26(4,5)32)34-30(33-19)16-29(8)18(23(17)30)9-10-21-27(6)13-12-22(31)25(2,3)20(27)11-14-28(21,29)7/h9-10,17,19-21,24,32H,11-16H2,1-8H3/t17-,19+,20+,21+,24-,27+,28+,29+,30+/m1/s1
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| InChIKey |
ZUYNEWCDFCSDNK-ZQCSCMBKSA-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