General Information of the Compound
| Compound ID |
CP0544518
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| Compound Name |
2-[(6aR,10aR)-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C20H26O5
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| Molecular Weight |
346.423
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| Canonical SMILES |
CC(C)(C(O)=O)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C20H26O5/c1-19(2,18(23)24)12-8-15(22)17-13-7-11(10-21)5-6-14(13)20(3,4)25-16(17)9-12/h5,8-9,13-14,21-22H,6-7,10H2,1-4H3,(H,23,24)/t13-,14-/m1/s1
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| InChIKey |
IRWHAWAGSJVGCV-ZIAGYGMSSA-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