Summary

IMPPAT Phytochemical identifier: IMPHY007890

Phytochemical name: Edulitine

Synonymous chemical names:
edulitine

External chemical identifiers:
CID:826073, ChEMBL:CHEMBL256497, ZINC:ZINC000000345844, SureChEMBL:SCHEMBL3188973

---

Chemical structure information

SMILES:
COc1cccc2c1[nH]c(=O)cc2OC

InChI:
InChI=1S/C11H11NO3/c1-14-8-5-3-4-7-9(15-2)6-10(13)12-11(7)8/h3-6H,1-2H3,(H,12,13)

InChIKey:
HPPSTURWGYFXQN-UHFFFAOYSA-N

DeepSMILES:
COcccccc6[nH]c=O)cc6OC

Functional groups:
c=O, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2[nH]1

Scaffold Graph/Node level:
OC1CCC2CCCCC2N1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.16

---

Chemical structure download