input word = C00039409

Metabolite InformationStructural formula
Name Incarvillateine C
(-)-Incarvillateine C
Formula C40H54N2O6
Mw 658.39818747
CAS RN 244259-22-1
C_ID C00039409 ,
InChIKey WIWBHTSWIXPGLX-XJXUEECPNA-N
InChICode InChI=1S/C40H54N2O6/c1-21-17-41(5)19-31-23(3)33(15-29(21)31)47-39(45)37-35(25-7-11-27(43)12-8-25)38(36(37)26-9-13-28(44)14-10-26)40(46)48-34-16-30-22(2)18-42(6)20-32(30)24(34)4/h7-14,21-24,29-38,43-44H,15-20H2,1-6H3/t21-,22-,23-,24-,29-,30-,31+,32+,33+,34+,35-,36+,37-,38+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]1c1ccc(cc1)O)C(=O)O[C@H]1[C@H]([C@@H]2[C@@H](C1)[C@H](CN(C2)C)C)C)c1ccc(cc1)O)C(=O)O[C@H]1[C@H]([C@@H]2[C@@H](C1)[C@H](CN(C2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeIncarvillea sinensis Ref.
--Incarvilea sinensis L. Ref.
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OrganismIncarvillea sinensis
ReferenceNakamura, et al., Phytochemistry, 51, (1999), 595