Name |
Theophylline |
Formula |
C7H8N4O2 |
Mw |
180.06472553 |
CAS RN |
58-55-9 |
C_ID |
C00001510
, 
|
InChIKey |
ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
InChICode |
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
SMILES |
Cn1c(=O)c2[nH]cnc2n(C)c1=O |
Start Substs in Alk. Biosynthesis (Prediction) |
Anthranilate L-Arg L-Asp L-Phe |
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apocynaceae | Catharanthus roseus  | Ref. |
Plantae | Aquifoliaceae | Ilex paraguariensi | Ref. |
Plantae | Aquifoliaceae | Ilex paraguariensis  | Ref. |
Plantae | Malvaceae | Cola sp. | Ref. |
Plantae | Malvaceae | Theobroma cacao L.  | 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 kianjavatensis | Ref. |
Plantae | Rubiaceae | Coffea liberica  | Ref. |
Plantae | Rubiaceae | Coffea racemosa | Ref. |
Plantae | Rubiaceae | Coffea salvatrix | 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 irrawadiensisia | Ref. |
Plantae | Theaceae | Camellia kissi  | Ref. |
Plantae | Theaceae | Camellia ptilophylla | Ref. |
Plantae | Theaceae | Camellia sinensis  | Ref. |
Plantae | Theaceae | Camellia taliensis | Ref. |
Plantae | Theaceae | Camellia thea  | Ref. |
Plantae | Theaceae | Camellia toliensis | Ref. |
- | - | Caffea sp. | Ref. |
- | - | Cammellia assamica var.kucha | Ref. |
- | - | Herreania sp. | Ref. |
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