General Information of the Compound
| Compound ID |
CP0243136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3R,4aR,7S,8R,8aR)-7-[(E)-but-2-en-2-yl]-3,6,8-trimethyl-8-(pyridine-3-carbonyl)-2,3,4,4a,7,8a-hexahydro-1H-naphthalene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31NO3
|
||||||||||||||||||
| Molecular Weight |
381.516
|
||||||||||||||||||
| Canonical SMILES |
C\C=C(/C)[C@H]1C(C)=C[C@H]2C[C@@H](C)C[C@H]([C@@H]2[C@@]1(C)C(=O)c1cccnc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31NO3/c1-6-15(3)20-16(4)12-18-10-14(2)11-19(23(27)28)21(18)24(20,5)22(26)17-8-7-9-25-13-17/h6-9,12-14,18-21H,10-11H2,1-5H3,(H,27,28)/b15-6+/t14-,18-,19-,20+,21-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKWYVZTUHUVPMF-NRRWAFDESA-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 | |||||||||||||||||||