Summary

IMPPAT Phytochemical identifier: IMPHY008543

Phytochemical name: Glycophymoline

Synonymous chemical names:
glycophymoline

External chemical identifiers:
CID:442907, ChEBI:5480

---

Chemical structure information

SMILES:
COc1nc(Cc2ccccc2)nc2c1cccc2

InChI:
InChI=1S/C16H14N2O/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChIKey:
IYFCZALHGYMIIU-UHFFFAOYSA-N

DeepSMILES:
COcncCcccccc6)))))))ncc6cccc6

Functional groups:
cOC, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ncc3ccccc3n2)cc1

Scaffold Graph/Node level:
C1CCC(CC2NCC3CCCCC3N2)CC1

Scaffold Graph level:
C1CCC(CC2CCC3CCCCC3C2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.985

---

Chemical structure download