input word = C00004705

Metabolite InformationStructural formula
Name Casticin
3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone
Quercetagetin 3,6,7,4'-tetramethyl ether
Vitexicarpin
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
Formula C19H18O8
Mw 374.10016755
CAS RN 479-91-4
C_ID C00004705 ,
InChIKey PJQLSMYMOKWUJG-UHFFFAOYSA-N
InChICode InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea clavennae Ref.
PlantaeAsteraceaeAchillea millefolium L. Ref.
PlantaeAsteraceaeAchillea sibirica subsp.mongolica Ref.
PlantaeAsteraceaeArtemisia abrotanum Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeArtemisia scoparia. Ref.
PlantaeAsteraceaeBrickellia spp. Ref.
PlantaeAsteraceaeLagophylla glandulosa Ref.
PlantaeAsteraceaeMatricaria chamomilla Ref.
PlantaeAsteraceaeParthenium incanum Ref.
PlantaeAsteraceaeParthenium spp. Ref.
PlantaeAsteraceaeTanacetum polycephalum Ref.
PlantaeBromeliaceaeBromelia pinguin Ref.
PlantaeHydrophyllaceaeEriodictyon trichocalyx Ref.
PlantaeLabiataeCallicarpa pilosissima Ref.
PlantaeLabiataeVitex agnus-castus Ref.
PlantaeLabiataeVitex negundo Ref.
PlantaeLabiataeVitex rotundifolia Ref.
PlantaeLabiataeVitex trifolia Ref.
PlantaePlantaginaceaeDigitalis thapsii Ref.
PlantaeSaxifragaceaeChrysosplenium japonicum Ref.
PlantaeSaxifragaceaeChrysosplenium tosaense Ref.
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OrganismMatricaria chamomilla
ReferenceChen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009).

Diaz, et al., Journal of Natural Products, 66, (2003), 865.

Ono, et al., Journal of Natural Products, 65, (2002), 537.

Brown, et al., Phytochemistry, 64, (2003), 303.

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).

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

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

Zeng, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 21, (1996), 167.