| Name |
Calafatimine |
| Formula |
C38H40N2O7 |
| Mw |
636.28355165 |
| CAS RN |
77793-42-1 |
| C_ID |
C00001826
, 
|
| InChIKey |
VQYWPFJBVAHLLO-KSTXGFNDNA-N |
| InChICode |
InChI=1S/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1 |
| SMILES |
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC)c(c1OC)Oc1ccc(cc1)CC3=NCC2)N(C)CC4 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Berberidaceae | Berberis buxifolia  | Ref. |
|
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