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 COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea clavennae Ref.
PlantaeAsteraceaeAchillea millefolium L. Ref.
PlantaeAsteraceaeAchillea sibirica subsp.mongolica Ref.
PlantaeAsteraceaeAgeratina havanensis 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.
PlantaePlantaginaceaeVeronica officinalis Ref.
PlantaePlantaginaceaeVeronica orchidea Ref.
PlantaePlantaginaceaeVeronica teucrium Ref.
PlantaeSaxifragaceaeChrysosplenium japonicum Ref.
PlantaeSaxifragaceaeChrysosplenium tosaense Ref.
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OrganismVeronica orchidea
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.