input word = C00001492

Metabolite InformationStructural formula
Name Caffeine
Formula C8H10N4O2
Mw 194.08037559
CAS RN 58-08-2
C_ID C00001492 ,
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
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeAquifoliaceaeIlex cornuta Ref.
PlantaeAquifoliaceaeIlex paraguariensis Ref.
PlantaeAquifoliaceaeIlex paraguayensis Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeLoranthaceaeScurrula atropurpurea Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMalvaceaeCola acuminata Ref.
PlantaeMalvaceaeCola sp. Ref.
PlantaeMalvaceaeCola spp. Ref.
PlantaeMalvaceaeFirmiana simplex Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaeMalvaceaeTheobroma grandiflorum Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeRubiaceaeCoffea dewevrei Ref.
PlantaeRubiaceaeCoffea eugeniodes Ref.
PlantaeRubiaceaeCoffea eugenioides Ref.
PlantaeRubiaceaeCoffea excelsa Ref.
PlantaeRubiaceaeCoffea kianjavatensis Ref.
PlantaeRubiaceaeCoffea liberica Ref.
PlantaeRubiaceaeCoffea racemosa Ref.
PlantaeRubiaceaeCoffea salvatrix Ref.
PlantaeRubiaceaeCoffea spp Ref.
PlantaeRubiaceaeCoffea spp. Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeSapindaceaePaullinia cupana Ref.
PlantaeSapindaceaePaullinia trifoliata Ref.
PlantaeTheaceaeCamellia assamica Ref.
PlantaeTheaceaeCamellia irawadiensis Ref.
PlantaeTheaceaeCamellia kissi Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeCamellia sinensis var. sinensis Ref.
PlantaeTheaceaeCamellia taliensis Ref.
PlantaeTheaceaeCamellia thea Ref.
PlantaeTheaceaeCamellia toliensis Ref.
PlantaeTheaceaeThea siensis Ref.
--Caffea sp. Ref.
--Cammellia assamica var.kucha Ref.
--Coffea, Thea Ref.
--Coffee arabica Ref.
--Herreania sp. Ref.
--Scurrura atropurpurea Ref.
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OrganismIlex cornuta
ReferenceChang, et al., Dictionary of Chemistry, Science Press, Beijing, (2008).

OHASHI, et al., Chem Pharm Bull, 51, (2003), 343.

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Wang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986).

Ji, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).