General Information of the Compound
| Compound ID |
CP0565981
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| Compound Name |
(6aR,9R,10aR)-3-(1-adamantyl)-1-hydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-9-carbaldehyde
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| Structure |
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| Formula |
C26H34O3
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| Molecular Weight |
394.555
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](CC[C@@H]12)C=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C26H34O3/c1-25(2)21-4-3-15(14-27)8-20(21)24-22(28)9-19(10-23(24)29-25)26-11-16-5-17(12-26)7-18(6-16)13-26/h9-10,14-18,20-21,28H,3-8,11-13H2,1-2H3/t15-,16?,17?,18?,20-,21-,26?/m1/s1
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| InChIKey |
PFXQODKAWDAKED-MMSALSPUSA-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