| Name |
Caledonine
(+)-Caledonine |
| Formula |
C77H86N14 |
| Mw |
1206.71598885 |
| CAS RN |
235099-24-8 |
| C_ID |
C00026937
, 
|
| InChIKey |
YSQQGZAMQTYFML-RPBKYUPZNA-N |
| InChICode |
InChI=1S/C77H86N14/c1-85-38-31-71(45-17-8-10-29-57(45)78-64(71)85)47-19-12-20-48-59(47)80-65-72(48,32-39-86(65)2)49-21-13-22-50-60(49)81-66-73(50,33-40-87(66)3)51-23-14-24-52-61(51)82-67-74(52,34-41-88(67)4)53-25-15-26-54-62(53)83-68-75(54,35-42-89(68)5)55-27-16-28-56-63(55)84-70-77(56,37-44-91(70)7)76-36-43-90(6)69(76)79-58-30-11-9-18-46(58)76/h8-30,64-70,78-84H,31-44H2,1-7H3/t64-,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1 |
| SMILES |
CN1CCC2(c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@@H]3N(C)CCC43[C@@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Anthranilate |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Psychotria oleoides | Ref. |
|
|
zoom in
| Organism | Psychotria oleoides |
|---|
| Reference | Jannic,J.Nat.Prod.,62,(1999),838 |
|---|
|
