input word = C00001645

Metabolite InformationStructural formula
Name Icaceine
Formula C22H33NO4
Mw 375.24095855
CAS RN 74991-71-2
C_ID C00001645 ,
InChIKey MRVMMDQTZLIFLF-CDZMOPTHNA-N
InChICode InChI=1S/C22H33NO4/c1-20-9-7-16(24)22(3)17(20)14(27-19(22)25)10-12-13(20)6-8-21(2)15(23(4)5)11-26-18(12)21/h10,13-18,24H,6-9,11H2,1-5H3/t13-,14?,15-,16-,17+,18+,20+,21+,22-/m0/s1
SMILES C1[C@@H]([C@]2([C@H]3[C@](C1)([C@@H]1C(=C[C@@H]3OC2=O)[C@H]2[C@](CC1)([C@H](CO2)N(C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeIcacinaceaeIcacina guesfeldtii Ref.
PlantaeIcacinaceaeIcacina guessfeldtii Ref.
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