Summary

IMPPAT Phytochemical identifier: IMPHY006918

Phytochemical name: Mukonicine

Synonymous chemical names:
mukonicine

External chemical identifiers:
CID:86242003, ZINC:ZINC000015257211

---

Chemical structure information

SMILES:
COc1cc(OC)cc2c1[nH]c1c2cc(c2c1C=CC(O2)(C)C)C

InChI:
InChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3

InChIKey:
APZRRMFSHXMDTQ-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6[nH]cc5cccc6C=CCO6)C)C))))))C

Functional groups:
cC=CC, 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: 1.755

---

Chemical structure download