input word = C00004995

Metabolite InformationStructural formula
Name Macarangin
(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one
6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C25H26O6
Mw 422.17293856
CAS RN 129385-65-5
C_ID C00004995 ,
InChIKey MBIJQAHZUBUPNM-VIZOYTHASA-N
InChICode InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20-21(22(18)28)23(29)24(30)25(31-20)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7+
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O)O)C/C=C(\C)/CCC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeMonotes africanus Ref.
PlantaeEuphorbiaceaeMacaranga denticulata Ref.
PlantaeEuphorbiaceaeMacaranga vedeliana Ref.
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OrganismMacaranga denticulata
ReferenceSutthivaiyakit,Tetrahedron,58,(2002),3619