General Information of the Compound
| Compound ID |
CP0382062
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| Compound Name |
2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]acetic acid
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| Structure |
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| Formula |
C18H22O4
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| Molecular Weight |
302.37
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC(O)=O)cc1OC2(C)C
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| InChI |
InChI=1S/C18H22O4/c1-10-4-5-13-12(6-10)17-14(19)7-11(9-16(20)21)8-15(17)22-18(13,2)3/h4,7-8,12-13,19H,5-6,9H2,1-3H3,(H,20,21)/t12-,13-/m1/s1
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| InChIKey |
OJEXEXIMQPBJQS-CHWSQXEVSA-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