Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011956

Phytochemical name: n-formylloline

Synonymous chemical names:
n-formylloline

External chemical identifiers:
CID:CID_145720536

---

Chemical structure information

SMILES:
O=CN(C1[C@H]2CN3C1[C@@H](O2)CC3)C

InChI:
InChI=1S/C9H14N2O2/c1-10(5-12)8-7-4-11-3-2-6(13-7)9(8)11/h5-9H,2-4H2,1H3/t6-,7?,8?,9?/m0/s1

InChIKey:
YHLKXYXFUCTURZ-JUGFDQIVSA-N

DeepSMILES:
O=CNC[C@H]CNC5[C@@H]O6)CC5))))))))C

Functional groups:
CN(C)C=O, CN(C)C, COC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CN2CC3CC2C1O3

Scaffold Graph/Node level:
C1CN2CC3CC2C1O3

Scaffold Graph level:
C1CC2CC3CC1C2C3

---

Chemical classification

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 1.324

---

Chemical structure download