Name |
Theobromine |
Formula |
C7H8N4O2 |
Mw |
180.06472553 |
CAS RN |
83-67-0 |
C_ID |
C00001509
,
|
InChIKey |
YAPQBXQYLJRXSA-UHFFFAOYSA-N |
InChICode |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
SMILES |
Cn1cnc2c1c(=O)[nH]c(=O)n2C |
Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr L-Phe |
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Aquifoliaceae | Ilex paraguariensis A.St.-Hil. | Ref. |
Plantae | Aquifoliaceae | Ilex perado | Ref. |
Plantae | Fabaceae | Pseudopiptadenia leptostachya | Ref. |
Plantae | Loranthaceae | Scurrula atropurpurea | Ref. |
Plantae | Malvaceae | Cola acuminata | Ref. |
Plantae | Malvaceae | Cola sp. | Ref. |
Plantae | Malvaceae | Theobroma cacao | Ref. |
Plantae | Malvaceae | Theobroma grandiflorum | 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 pachycarpa | Ref. |
Plantae | Sapindaceae | Paullinia trifoliata | Ref. |
Plantae | Sapindaceae | Paullinia yoco | Ref. |
Plantae | Theaceae | Camellia irawadiensis | Ref. |
Plantae | Theaceae | Camellia irrawadiensis | Ref. |
Plantae | Theaceae | Camellia ptilophylla | Ref. |
Plantae | Theaceae | Camellia sinensis | Ref. |
Plantae | Theaceae | Camellia taliensis | Ref. |
Plantae | Theaceae | Camellia thea | Ref. |
- | - | Caffea sp. | Ref. |
- | - | Herreania sp. | Ref. |
- | - | Scurrura atropurpurea | Ref. |
- | - | Theobroma | Ref. |
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Organism | Theobroma cacao | Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter14 |
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