Summary

IMPPAT Phytochemical identifier: IMPHY009929

Phytochemical name: N-Formylcytisine

Synonymous chemical names:
cytisine n-formyl, cytisine, n-formyl, n-formylcytisine

External chemical identifiers:
CID:589870, ChEMBL:CHEMBL1433686, MolPort-009-752-666

---

Chemical structure information

SMILES:
O=CN1CC2CC(C1)c1n(C2)c(=O)ccc1

InChI:
InChI=1S/C12H14N2O2/c15-8-13-5-9-4-10(7-13)11-2-1-3-12(16)14(11)6-9/h1-3,8-10H,4-7H2

InChIKey:
PCYQRXYBKKZUSR-UHFFFAOYSA-N

DeepSMILES:
O=CNCCCCC6)cnC6)c=O)ccc6

Functional groups:
CN(C)C=O, c=O, cn(c)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc2n1CC1CNCC2C1

Scaffold Graph/Node level:
OC1CCCC2C3CNCC(C3)CN12

Scaffold Graph level:
CC1CCCC2C3CCCC(C3)CC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Lupin alkaloids

ClassyFire Subclass: Cytisine and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids, Quinolizidine alkaloids

NP-Likeness score: -0.066

---

Chemical structure download