input word = C00064616

Metabolite InformationStructural formula
Name Tabernoxidine
Formula C22H28N2O5
Mw 400.19982202
CAS RN 91423-26-6
C_ID C00064616
InChIKey XEINXSDSBBNADG-NYPOVGQXSA-N
InChICode InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-22(20(27)29-3)18(15)24(11-13)7-6-21(22)16-5-4-14(28-2)9-17(16)23-19(21)26/h4-5,9,12-13,15,18,25H,6-8,10-11H2,1-3H3,(H,23,26)/t12-,13+,15+,18-,21+,22+/m0/s1
SMILES COC(=O)C12CC3CC(C(C)O)C1N(CCC21C(=O)Nc2cc(OC)ccc21)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana heyneana Ref.
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OrganismTabernaemontana heyneana
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.