KNApSAcK Metabolite Information

input word = C00002292

Metabolite Information

Structural formula

Name

Hyoscine
Scopolamine
Scopine (-)-tropate
Scopine tropate
(-)-Hyoscine

Formula

C17H21NO4

303.14705817

CAS RN

51-34-3

C_ID

C00002292 ,

InChIKey

STECJAGHUSJQJN-YPGQNCNZNA-N

InChICode

InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1

SMILES

N1([C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)[C@@H](c1ccccc1)CO)C

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Fumariaceae	Corydalis yanhusuo	Ref.
Plantae	Solanaceae	Anisodus acutangulus	Ref.
Plantae	Solanaceae	Anisodus belladonna	Ref.
Plantae	Solanaceae	Anisodus tanguticus	Ref.
Plantae	Solanaceae	Anthocercis fasciculata	Ref.
Plantae	Solanaceae	Anthocercis myoporoides	Ref.
Plantae	Solanaceae	Anthocercis pannosa	Ref.
Plantae	Solanaceae	Anthocercis viscosa	Ref.
Plantae	Solanaceae	Anthocercis walcottii	Ref.
Plantae	Solanaceae	Anthotroche myoporoides	Ref.
Plantae	Solanaceae	Anthotroche pannosa	Ref.
Plantae	Solanaceae	Anthotroche walcottii	Ref.
Plantae	Solanaceae	Atropa bella-donna	Ref.
Plantae	Solanaceae	Atropa belladona	Ref.
Plantae	Solanaceae	Atropa belladonna	Ref.
Plantae	Solanaceae	Brugmansia arborea	Ref.
Plantae	Solanaceae	Cyphanthera anthocercidea	Ref.
Plantae	Solanaceae	Datura arborea L.	Ref.
Plantae	Solanaceae	Datura candida	Ref.
Plantae	Solanaceae	Datura clorantha	Ref.
Plantae	Solanaceae	Datura ferox	Ref.
Plantae	Solanaceae	Datura fustuosa	Ref.
Plantae	Solanaceae	Datura innoxia	Ref.
Plantae	Solanaceae	Datura kymatocarpa	Ref.
Plantae	Solanaceae	Datura lanosa	Ref.
Plantae	Solanaceae	Datura leichardtii	Ref.
Plantae	Solanaceae	Datura metel	Ref.
Plantae	Solanaceae	Datura meteloides	Ref.
Plantae	Solanaceae	Datura myoporoides	Ref.
Plantae	Solanaceae	Datura pruinosa	Ref.
Plantae	Solanaceae	Datura quercifolia	Ref.
Plantae	Solanaceae	Datura rosei	Ref.
Plantae	Solanaceae	Datura sanguinea	Ref.
Plantae	Solanaceae	Datura stramonium	Ref.
Plantae	Solanaceae	Datura tatula	Ref.
Plantae	Solanaceae	Duboisia arenitensis	Ref.
Plantae	Solanaceae	Duboisia hopwoodii	Ref.
Plantae	Solanaceae	Duboisia leichhardtii	Ref.
Plantae	Solanaceae	Duboisia myoporoides	Ref.
Plantae	Solanaceae	Hyoscyamus albus	Ref.
Plantae	Solanaceae	Hyoscyamus aureus	Ref.
Plantae	Solanaceae	Hyoscyamus bohemicus	Ref.
Plantae	Solanaceae	Hyoscyamus canariensis	Ref.
Plantae	Solanaceae	Hyoscyamus gyorffi	Ref.
Plantae	Solanaceae	Hyoscyamus muticus	Ref.
Plantae	Solanaceae	Hyoscyamus niger	Ref.
Plantae	Solanaceae	Hyoscyamus pusillus	Ref.
Plantae	Solanaceae	Mandragora autumnalis	Ref.
Plantae	Solanaceae	Mandragora autunnale	Ref.
Plantae	Solanaceae	Mandragora officinarum L.	Ref.
Plantae	Solanaceae	Mandragora turcomanica Mizger	Ref.
Plantae	Solanaceae	Mandragora vernalis	Ref.
Plantae	Solanaceae	Physochlaina alaica	Ref.
Plantae	Solanaceae	Physochlaina orientalis	Ref.
Plantae	Solanaceae	Scopolia carniolica	Ref.
Plantae	Solanaceae	Scopolia japonica	Ref.
Plantae	Solanaceae	Scopolia parviflora	Ref.
Plantae	Solanaceae	Symonanthus aromaticus	Ref.
-	-	Crenidium spinescens	Ref.
-	-	Hyoscamus albus	Ref.
-	-	Hyoscamus aurea	Ref.
-	-	Hyoscamus muticus	Ref.
-	-	Hyoscamus niger	Ref.
-	-	Hyoscamus reticulatus	Ref.
-	-	Hyosciamus niger	Ref.

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Organism

Hyosciamus niger

Reference

Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

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).

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

Chang, et al., Dictionary of Chemistry, Science Press, Beijing, (2008).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)