input word = C00063963

Metabolite InformationStructural formula
Name Peganumine A
Formula C29H30N4O3
Mw 482.23179085
CAS RN 1620517-85-2
C_ID C00063963
InChIKey GOEMZMDFIRAABC-WDYNHAJCSA-N
InChICode InChI=1S/C29H30N4O3/c1-27(2)15-28-24-20(18-7-5-16(35-3)13-22(18)30-24)9-11-32(28)26(34)29(27)25-21(10-12-33(28)29)19-8-6-17(36-4)14-23(19)31-25/h5-8,13-14,30-31H,9-12,15H2,1-4H3/t28-,29+/m1/s1
SMILES COc1ccc2c3c([nH]c2c1)C12CC(C)(C)C4(C(=O)N1CC3)c1[nH]c3cc(OC)ccc3c1CCN24
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNitrariaceaePeganum harmala Ref.
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OrganismPeganum harmala
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.