General Information of the Compound
| Compound ID |
CP0567409
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| Compound Name |
methyl (2S,4aS,6aR,6aS,6bR,8aR,11E,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-11-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-10,13-dioxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylate
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| Structure |
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| Formula |
C37H50O7
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| Molecular Weight |
606.8
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| Canonical SMILES |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C\C(=C/OC6OC(=O)C(C)=C6)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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| InChI |
InChI=1S/C37H50O7/c1-21-16-27(44-30(21)40)43-20-22-18-35(6)26(32(2,3)29(22)39)10-11-37(8)28(35)25(38)17-23-24-19-34(5,31(41)42-9)13-12-33(24,4)14-15-36(23,37)7/h16-17,20,24,26-28H,10-15,18-19H2,1-9H3/b22-20+/t24-,26-,27?,28+,33+,34-,35-,36+,37+/m0/s1
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| InChIKey |
NIFQGRNNPWQMOO-CGGNPZBNSA-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