| Name |
9-O-Demethylcephaeline |
| Formula |
C27H36N2O4 |
| Mw |
452.26750765 |
| CAS RN |
82570-80-7 |
| C_ID |
C00051992
|
| InChIKey |
|
| InChICode |
InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-25(31)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-26(32-2)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1 |
| SMILES |
c12c(cc(c(c1)OC)O)CCN1[C@H]2C[C@@H]([C@H](C1)CC)C[C@H]1NCCc2c1cc(c(c2)O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Psychotria ipecacuanha  | Ref. |
|
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