General Information of the Compound
| Compound ID |
CP0514857
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| Compound Name |
(6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclobut-1-yl]-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
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| Structure |
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| Formula |
C25H34O3
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| Molecular Weight |
382.544
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| Canonical SMILES |
CCCC\C=C/C1(CCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C25H34O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h7,11,14-15,19-20,27H,4-6,8-10,12-13,16H2,1-3H3/b11-7-/t19-,20-/m1/s1
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| InChIKey |
WWZQRXFHANDODH-RHHFQONYSA-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