| 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 |
C1N([C@@H]2[C@](C1)(c1c(N2)c(ccc1)[C@]12CCN([C@H]1Nc1c2cccc1)C)c1c2c([C@]3(CCN([C@H]3N2)C)c2c3c([C@]4(CCN([C@H]4N3)C)c3c4c([C@]5(CCN([C@H]5N4)C)c4c5c([C@]6([C@@]78CCN([C@@H]7Nc7c8cccc7)C)CCN([C@H]6N5)C)ccc4)ccc3)ccc2)ccc1)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Anthranilate |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Psychotria oleoides | Ref. |
|
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