| Name |
Caffeine
Caffein |
| Formula |
C8H10N4O2 |
| Mw |
194.08037559 |
| CAS RN |
58-08-2 |
| C_ID |
C00001492
, 
|
| InChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| SMILES |
n1(c(=O)n(c2c(c1=O)n(cn2)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr L-Asp L-Phe |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Hominidae | Homo sapiens (Urine) | Ref. |
| Plantae | Aquifoliaceae | Ilex cornuta  | Ref. |
| Plantae | Aquifoliaceae | Ilex paraguariensis | Ref. |
| Plantae | Aquifoliaceae | Ilex paraguayensis | Ref. |
| Plantae | Caricaceae | Carica papaya | Ref. |
| Plantae | Loranthaceae | Scurrula atropurpurea | Ref. |
| Plantae | Malvaceae | Cola acuminata | Ref. |
| Plantae | Malvaceae | Cola sp. | Ref. |
| Plantae | Malvaceae | Cola spp. | Ref. |
| Plantae | Malvaceae | Firmiana simplex | Ref. |
| Plantae | Malvaceae | Theobroma cacao | Ref. |
| Plantae | Malvaceae | Theobroma grandiflorum | Ref. |
| Plantae | Rubiaceae | Coffea arabica | Ref. |
| Plantae | Rubiaceae | Coffea canephora | Ref. |
| Plantae | Rubiaceae | Coffea dewevrei | Ref. |
| Plantae | Rubiaceae | Coffea eugeniodes | Ref. |
| Plantae | Rubiaceae | Coffea eugenioides | Ref. |
| Plantae | Rubiaceae | Coffea excelsa | Ref. |
| Plantae | Rubiaceae | Coffea kianjavatensis | Ref. |
| Plantae | Rubiaceae | Coffea liberica | Ref. |
| Plantae | Rubiaceae | Coffea racemosa | Ref. |
| Plantae | Rubiaceae | Coffea salvatrix | Ref. |
| Plantae | Rubiaceae | Coffea spp | Ref. |
| Plantae | Rubiaceae | Coffea spp. | Ref. |
| Plantae | Rutaceae | Citrus limon | Ref. |
| Plantae | Rutaceae | Citrus maxima | Ref. |
| Plantae | Rutaceae | Citrus paradisi | Ref. |
| Plantae | Sapindaceae | Paullinia cupana | Ref. |
| Plantae | Sapindaceae | Paullinia trifoliata | Ref. |
| Plantae | Theaceae | Camellia assamica | Ref. |
| Plantae | Theaceae | Camellia irawadiensis | Ref. |
| Plantae | Theaceae | Camellia kissi | Ref. |
| Plantae | Theaceae | Camellia sinensis | Ref. |
| Plantae | Theaceae | Camellia sinensis var. sinensis | Ref. |
| Plantae | Theaceae | Camellia taliensis | Ref. |
| Plantae | Theaceae | Camellia thea | Ref. |
| Plantae | Theaceae | Camellia toliensis | Ref. |
| Plantae | Theaceae | Thea siensis | Ref. |
| - | - | Cammellia assamica var.kucha | Ref. |
| - | - | Coffea, Thea | Ref. |
| - | - | Coffee arabica | Ref. |
| - | - | Herreania sp. | Ref. |
| - | - | Scurrura atropurpurea | Ref. |
|
|
zoom in
| Organism | Coffea, Thea |
|---|
| Reference | Natural Products Vol.1 ISBN978-3-642-22143-9 |
|---|
|
