Summary

IMPPAT Phytochemical identifier: IMPHY004357

Phytochemical name: Koenigine

Synonymous chemical names:
koenigine

External chemical identifiers:
CID:5318825, ChEBI:168437

---

Chemical structure information

SMILES:
COc1cc2c(cc1O)[nH]c1c2cc(C)c2c1C=CC(O2)(C)C

InChI:
InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3

InChIKey:
CZZZOTXCAIDYOZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O)))[nH]cc5ccC)cc6C=CCO6)C)C

Functional groups:
cC=CC, cO, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

---

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: 2.115

---

Chemical structure download