General Information of the Compound
| Compound ID |
CP0439950
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| Compound Name |
(1S,2R,4S,6S,8R,12S,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-12-methoxy-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one
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| Structure |
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| Formula |
C31H50O5
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| Molecular Weight |
502.736
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| Canonical SMILES |
CO[C@H]1CC2=C3[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]12)O[C@@H](C[C@H]3C)[C@@H](O)C(C)(C)O
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| InChI |
InChI=1S/C31H50O5/c1-17-14-20(26(33)28(4,5)34)36-21-16-31(8)18(24(17)21)15-19(35-9)25-29(6)12-11-23(32)27(2,3)22(29)10-13-30(25,31)7/h17,19-22,25-26,33-34H,10-16H2,1-9H3/t17-,19+,20+,21+,22+,25+,26-,29+,30+,31+/m1/s1
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| InChIKey |
VZRVZTUXWXWINB-NWRBOSGGSA-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