Summary

IMPPAT Phytochemical identifier: IMPHY000019

Phytochemical name: Juliprosine

Synonymous chemical names:
juliprosine

External chemical identifiers:
CID:11308340

---

Chemical structure information

SMILES:
C[C@@H]1N[C@H](CCCCCCCCCCc2cc(CCCCCCCCCC[C@@H]3CC[C@@H]([C@@H](N3)C)O)c3[n+](c2)CCC3)CC[C@@H]1O

InChI:
InChI=1S/C40H72N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30-33,36-37,39-42,44-45H,3-29H2,1-2H3/q+1/t32-,33-,36+,37+,39-,40-/m0/s1

InChIKey:
ZSATVXRUAGIIJL-RLXANGJBSA-N

DeepSMILES:
C[C@@H]N[C@H]CCCCCCCCCCcccCCCCCCCCCC[C@@H]CC[C@@H][C@@H]N6)C))O)))))))))))))))c[n+]c6)CCC5))))))))))))))))))CC[C@@H]6O

Functional groups:
CNC, CO, c[n+](c)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c(CCCCCCCCCCC2CCCCN2)c[n+]2c(c1CCCCCCCCCCC1CCCCN1)CCC2

Scaffold Graph/Node level:
C(CCCCCC1CCCCN1)CCCCC1CC(CCCCCCCCCCC2CCCCN2)C2CCCN2C1

Scaffold Graph level:
C(CCCCCC1CC(CCCCCCCCCCC2CCCCC2)C2CCCC2C1)CCCCC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids, Indolizidine alkaloids

NP-Likeness score: 1.222

---

Chemical structure download