General Information of the Compound
| Compound ID |
CP0454409
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| Compound Name |
[(6aR,10aR)-3-(1-adamantyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C31H42O4
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| Molecular Weight |
478.673
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| Canonical SMILES |
CC(C)(C)C(=O)OCC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C31H42O4/c1-29(2,3)28(33)34-17-18-6-7-24-23(11-18)27-25(32)12-22(13-26(27)35-30(24,4)5)31-14-19-8-20(15-31)10-21(9-19)16-31/h6,12-13,19-21,23-24,32H,7-11,14-17H2,1-5H3/t19?,20?,21?,23-,24-,31?/m1/s1
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| InChIKey |
OHLPUHVXEGUPBR-BYOOMSNPSA-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