General Information of the Compound
| Compound ID |
CP0460581
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| Compound Name |
2-[(6aR,9S,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]acetic acid
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| Structure |
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| Formula |
C17H22O5
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| Molecular Weight |
306.358
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| Canonical SMILES |
CC1(C)Oc2cc(CC(O)=O)cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12
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| InChI |
InChI=1S/C17H22O5/c1-17(2)12-4-3-10(18)8-11(12)16-13(19)5-9(7-15(20)21)6-14(16)22-17/h5-6,10-12,18-19H,3-4,7-8H2,1-2H3,(H,20,21)/t10-,11+,12+/m0/s1
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| InChIKey |
FBRJOSKSCYKYLF-QJPTWQEYSA-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