input word = C00016987

Metabolite InformationStructural formula
Name (+)-Nootkatone
Nootkanone
Nootkatone
4betaH,5alpha-Eremophila-1(10),11-dien-2-one
Formula C15H22O
Mw 218.16706532
CAS RN 4674-50-4
C_ID C00016987 ,
InChIKey WTOYNNBCKUYIKC-HUEPSZFENA-N
InChICode InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
SMILES C1C(=O)C=C2[C@]([C@@H]1C)(C[C@@H](CC2)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum chaishoui Ref.
PlantaeApiaceaeBupleurum chinense Ref.
PlantaeApiaceaeBupleurum marginatum var.stenophyllum Ref.
PlantaeApiaceaeBupleurum scornerifolium Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeChrysanthemum indicum Ref.
PlantaeCaprifoliaceaePatrinia heterophylla Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeCupressaceaeChamaecyparis nootkatensis Ref.
PlantaeCupressaceaeJuniperus brevifolia Ref.
PlantaeCupressaceaeJuniperus communis Ref.
PlantaeCupressaceaeJuniperus oxycedrus Ref.
PlantaeOrchidaceaeDendrobium nobile Ref.
PlantaeRutaceaeCitrus paradisi L. Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sinensis L. Ref.
PlantaeRutaceaeClausena excavata Ref.
PlantaeSchisandraceaeSchisandra chinensis Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
PlantaeZingiberaceaeAlpinia oxyphylla Ref.
--Callitropsis nootkatensis Ref.
--Vladimiria souliei Ref.
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OrganismPatrinia heterophylla
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

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Chen, et al., Lexicon of Active Componentsin in Plants, Vol2, Medicinal Science and Technology Press of China, Beijing, (2001).

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Shoji, et al., Planta Med, (1984), 117.

Morikawa, et al., JNP, 65, (2002), 1468.

Schneider, et al., Planta Med, 70, (2004), 471.

Ou, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003)