General Information of the Compound
| Compound ID |
CP0406726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]cyclobutane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26O4
|
||||||||||||||||||
| Molecular Weight |
342.435
|
||||||||||||||||||
| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26O4/c1-12-5-6-15-14(9-12)18-16(22)10-13(11-17(18)25-20(15,2)3)21(19(23)24)7-4-8-21/h5,10-11,14-15,22H,4,6-9H2,1-3H3,(H,23,24)/t14-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDMHGQZXMOMNSY-HUUCEWRRSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound