| Name |
7'-O-Demethylisocephaeline
(-)-7'-O-Demethylisocephaeline |
| Formula |
C27H36N2O4 |
| Mw |
452.26750765 |
| CAS RN |
586399-02-2 |
| C_ID |
C00044486
, 
|
| InChIKey |
HGQNZTBYUKKJLH-USSMMLFANA-N |
| InChICode |
InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)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 |
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2cc(O)c(O)cc21 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Psychotria klugii | Ref. |
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