Summary

IMPPAT Phytochemical identifier: IMPHY009605

Phytochemical name: Feruperine

Synonymous chemical names:
feruperine

External chemical identifiers:
CID:131752909, ChEBI:174039, ZINC:ZINC000013409173

---

Chemical structure information

SMILES:
COc1cc(/C=CC=CC(=O)N2CCCCC2)ccc1O

InChI:
InChI=1S/C17H21NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3/b7-3-,8-4+

InChIKey:
IUGIGWWOEYFTDM-KYPMKJFLSA-N

DeepSMILES:
COccc/C=CC=CC=O)NCCCCC6)))))))))))ccc6O

Functional groups:
c/C=CC=CC(=O)N(C)C, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=CC=Cc1ccccc1)N1CCCCC1

Scaffold Graph/Node level:
OC(CCCCC1CCCCC1)N1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCCCC1)C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.406

---

Chemical structure download