input word = C00026982

Metabolite InformationStructural formula
Name Indirubin
Couroupitine B
Indigo red
Indigopurpurin
Formula C16H10N2O2
Mw 262.07422758
CAS RN 479-41-4
C_ID C00026982 ,
InChIKey CRDNMYFJWFXOCH-BUHFOSPRSA-N
InChICode InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13+
SMILES c1ccc2c(c1)NC(=O)/C/2=C\1/Nc2c(C1=O)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis indigotica Ref.
PlantaeFabaceaeIndigofera tinctoria Ref.
PlantaeLecythidaceaeCouroupita guianensis Ref.
PlantaeOrchidaceaeCalanthe discolor Lindl Ref.
PlantaeOrchidaceaeCalanthe liukiuensis Schltr Ref.
PlantaePolygonaceaePolygonum tinctorium Ref.
--Baphicacanthus cusia Ref.
--Cephalanceropsis gracilis Ref.
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OrganismCouroupita guianensis
ReferenceSen,Tetrahedron Lett.,(1974),609