General Information of the Compound
| Compound ID |
CP0487477
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| Compound Name |
2-(2-methyl-6-oxopyran-4-yl)oxyethyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
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| Formula |
C37H46O7
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| Molecular Weight |
602.768
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| Canonical SMILES |
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)OCCOc1cc(C)oc(=O)c1
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| InChI |
InChI=1S/C37H46O7/c1-22-18-24(19-30(39)44-22)42-16-17-43-32(41)34(4)11-10-33(3)12-14-36(6)28-9-8-25-23(2)31(40)27(38)20-26(25)35(28,5)13-15-37(36,7)29(33)21-34/h8-9,18-20,29,40H,10-17,21H2,1-7H3/t29-,33-,34-,35+,36-,37+/m1/s1
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| InChIKey |
JBHMLNGNPWKUPU-BZRRHBBESA-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