Summary

IMPPAT Phytochemical identifier: IMPHY000734

Phytochemical name: 4-Methylbenzo[g]quinoline-5,10-dione

Synonymous chemical names:
cleistopholine

External chemical identifiers:
CID:457732, ChEMBL:CHEMBL444067, ZINC:ZINC000006523333, SureChEMBL:SCHEMBL6358965

---

Chemical structure information

SMILES:
Cc1ccnc2c1C(=O)c1ccccc1C2=O

InChI:
InChI=1S/C14H9NO2/c1-8-6-7-15-12-11(8)13(16)9-4-2-3-5-10(9)14(12)17/h2-7H,1H3

InChIKey:
GVRYUHXXENMGEV-UHFFFAOYSA-N

DeepSMILES:
Ccccncc6C=O)cccccc6C%10=O

Functional groups:
cC(c)=O, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ncccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2NCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 0.591

---

Chemical structure download