General Information of the Compound
| Compound ID |
CP0116011
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| Compound Name |
(1S,2R,4S,6S,8R,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-9,11-dien-17-one
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| Structure |
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| Formula |
C30H46O4
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| Molecular Weight |
470.694
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| Canonical SMILES |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C=C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)(C)O
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| InChI |
InChI=1S/C30H46O4/c1-17-15-19(25(32)27(4,5)33)34-20-16-30(8)18(24(17)20)9-10-22-28(6)13-12-23(31)26(2,3)21(28)11-14-29(22,30)7/h9-10,17,19-22,25,32-33H,11-16H2,1-8H3/t17-,19+,20+,21+,22+,25-,28+,29+,30+/m1/s1
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| InChIKey |
ZQFQEWOYCZTQFY-OZBSICFQSA-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