input word = C00001702

Metabolite InformationStructural formula
Name Caracurine V
Formula C38H40N4O2
Mw 584.31512655
CAS RN 630-87-5
C_ID C00001702 ,
InChIKey CIRUUTNLDXXBKU-HARXIRJENA-N
InChICode InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
SMILES C1=C2CN3CC[C@]45c6ccccc6N6[C@@H]7OCC=C8CN9CC[C@]%10%11c%12ccccc%12N([C@H](OC1)[C@@H]([C@H]64)[C@H]2C[C@H]35)[C@H]%10[C@H]7[C@H]8C[C@H]9%11
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos afzelii Ref.
PlantaeLonganiaceaeStrychnos dolichothyrsa Ref.
PlantaeLonganiaceaeStrychnos toxifera Ref.
zoom in