KNApSAcK Metabolite Information

input word = C00002498

Metabolite Information

Structural formula

Name

Aesculetin dimethyl ether
6,7-Dimethoxycoumarin
Scoparone

Formula

C11H10O4

206.05790881

CAS RN

120-08-1

C_ID

C00002498 ,

InChIKey

GUAFOGOEJLSQBT-UHFFFAOYSA-N

InChICode

InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3

SMILES

c1(c(cc2c(c1)ccc(=O)o2)OC)OC

Start Substs in Alk. Biosynthesis (Prediction)

Organism

Kingdom	Family	Species	Reference
Plantae	Apiaceae	Bupleurum fruticescens	Ref.
Plantae	Apiaceae	Ferula oopoda	Ref.
Plantae	Araliaceae	Aralia chinensis	Ref.
Plantae	Araliaceae	Aralia fargesii	Ref.
Plantae	Asteraceae	Artemisia annua	Ref.
Plantae	Asteraceae	Artemisia capillaris	Ref.
Plantae	Asteraceae	Artemisia scoparia	Ref.
Plantae	Asteraceae	Gonospermum fruticosum	Ref.
Plantae	Asteraceae	Gonospermum gomerae	Ref.
Plantae	Celastraceae	Microtropis japonica	Ref.
Plantae	Clusiaceae/Clusiaceae-Guttiferae	Garcinia multiflora	Ref.
Plantae	Fabaceae	Echinosophora koreensis	Ref.
Plantae	Fabaceae	Pueraria lobata	Ref.
Plantae	Gentianaceae	Gentiana kuroo	Ref.
Plantae	Gentianaceae	Gentiana kurroo	Ref.
Plantae	Magnoliaceae	Liriodendron tulipifera	Ref.
Plantae	Malvaceae	Hibiscus taiwanensis	Ref.
Plantae	Meliaceae	Cedrelopsis grevei	Ref.
Plantae	Meliaceae	Cedrelopsis grevei Baill	Ref.
Plantae	Meliaceae	Khaya ivorensis	Ref.
Plantae	Meliaceae	Khaya senegalensis L.	Ref.
Plantae	Oleaceae	Forsythia suspensa	Ref.
Plantae	Orchidaceae	Dendrobium aurantiacum var.denneanum	Ref.
Plantae	Orchidaceae	Dendrobium capillipes	Ref.
Plantae	Orchidaceae	Dendrobium densiflorum	Ref.
Plantae	Orchidaceae	Dendrobium thyrsiflorum	Ref.
Plantae	Rubiaceae	Rubia wallichiana DECNE	Ref.
Plantae	Rutaceae	Aegle marmelos	Ref.
Plantae	Rutaceae	Boronella koniambiensis	Ref.
Plantae	Rutaceae	Citrus sinensis cv.Valencia	Ref.
Plantae	Rutaceae	Dictamnus angustifolius	Ref.
Plantae	Rutaceae	Fagara macrophylla	Ref.
Plantae	Rutaceae	Phellodendron amurense	Ref.
Plantae	Rutaceae	Phellodendron japonicum MAXIM	Ref.
Plantae	Rutaceae	Zanthoxylum acanthopodium	Ref.
Plantae	Rutaceae	Zanthoxylum ailanthoides	Ref.
Plantae	Rutaceae	Zanthoxylum integrifoliolum	Ref.
Plantae	Rutaceae	Zanthoxylum nitidum	Ref.
Plantae	Rutaceae	Zanthoxylum schinifolium	Ref.
Plantae	Rutaceae	Zanthoxylum simulans	Ref.
Plantae	Verbenaceae	Duranta repens	Ref.

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Organism

Aralia fargesii

Reference

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

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).

Rao, et al., CCMM, 21, (1996), 482.

Chu, et al., CTHD, 29, (1998), 564.

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).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11.

Wu, et al., Chem Pharm Bull, 53, (2005), 56.

ANIS, et al., Chem Pharm Bull, 50, (2002), 515.

WU, et al., Chem Pharm Bull, 51, (2003), 948.

CHIU, et al., Chem Pharm Bull, 53, (2005), 1118.

Fan, et al., Phytochemistry, 57, (2001), 1255.

Ito, et al., Planta Med, 71, (2005), 84.

Racotoarison, et al., Planta Med, 69, (2003), 179.

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

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