General Information of the Compound
| Compound ID |
CP0481557
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| Compound Name |
(2S)-2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]propanoic acid
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| Structure |
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| Formula |
C19H24O4
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| Molecular Weight |
316.397
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| Canonical SMILES |
C[C@H](C(O)=O)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C19H24O4/c1-10-5-6-14-13(7-10)17-15(20)8-12(11(2)18(21)22)9-16(17)23-19(14,3)4/h5,8-9,11,13-14,20H,6-7H2,1-4H3,(H,21,22)/t11-,13+,14+/m0/s1
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| InChIKey |
IXXUYALAMLKSKC-IACUBPJLSA-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