Summary

IMPPAT Phytochemical identifier: IMPHY013044

Phytochemical name: Koeniginequinone B

Synonymous chemical names:
koeniginequinone b

External chemical identifiers:
CID:11184822, ChEMBL:CHEMBL4575424, ZINC:ZINC000038340569, SureChEMBL:SCHEMBL17817043

---

Chemical structure information

SMILES:
COc1cc2[nH]c3c(c2cc1OC)C(=O)C(=CC3=O)C

InChI:
InChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3

InChIKey:
NIRRSVHUEHTZSM-UHFFFAOYSA-N

DeepSMILES:
COccc[nH]ccc5cc9OC)))))C=O)C=CC6=O)))C

Functional groups:
CC1=CC(=O)ccC1=O, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2c1[nH]c1ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2C3CCCCC3NC12

Scaffold Graph level:
CC1CCC(C)C2C1CC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.211

---

Chemical structure download