General Information of the Compound
| Compound ID |
CP0575158
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| Compound Name |
methyl (2E,6E,10E)-13-[(1R,2R,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]-2,6,10-trimethyltrideca-2,6,10-trienoate
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| Structure |
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| Formula |
C37H54O7
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| Molecular Weight |
610.832
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| Canonical SMILES |
COC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@H]1[C@](C)(O)CCC2C(C)(C)C(=O)\C(C[C@]12C)=C\OC1OC(=O)C(C)=C1
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| InChI |
InChI=1S/C37H54O7/c1-24(15-11-17-26(3)33(39)42-9)13-10-14-25(2)16-12-18-30-36(7)22-28(23-43-31-21-27(4)34(40)44-31)32(38)35(5,6)29(36)19-20-37(30,8)41/h13,16-17,21,23,29-31,41H,10-12,14-15,18-20,22H2,1-9H3/b24-13+,25-16+,26-17+,28-23+/t29?,30-,31?,36+,37-/m1/s1
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| InChIKey |
DKQAIULGOPWQIM-JZLDRJQVSA-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