General Information of the Compound
| Compound ID |
CP0441079
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| Compound Name |
7-[[(2R,4aR,7E,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-7-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-6-oxo-3,4,4a,8-tetrahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
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| Structure |
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| Formula |
C30H34O8
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| Molecular Weight |
522.594
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| Canonical SMILES |
CC1=CC(O\C=C2/C[C@]3(C)C(COc4ccc5ccc(=O)oc5c4)[C@](C)(O)CC[C@H]3C(C)(C)C2=O)OC1=O
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| InChI |
InChI=1S/C30H34O8/c1-17-12-25(38-27(17)33)36-15-19-14-29(4)22(28(2,3)26(19)32)10-11-30(5,34)23(29)16-35-20-8-6-18-7-9-24(31)37-21(18)13-20/h6-9,12-13,15,22-23,25,34H,10-11,14,16H2,1-5H3/b19-15+/t22-,23?,25?,29-,30+/m0/s1
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| InChIKey |
WOLADYCMWZOCTC-AVVFFCCASA-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