Summary

IMPPAT Phytochemical identifier: IMPHY002839

Phytochemical name: 1-Methoxy-2-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde

Synonymous chemical names:
indizoline

External chemical identifiers:
CID:14282362, ZINC:ZINC000014516916

---

Chemical structure information

SMILES:
O=Cc1cc2c(c(c1CC=C(C)C)OC)[nH]c1c2cccc1

InChI:
InChI=1S/C19H19NO2/c1-12(2)8-9-14-13(11-21)10-16-15-6-4-5-7-17(15)20-18(16)19(14)22-3/h4-8,10-11,20H,9H2,1-3H3

InChIKey:
FRQNYPFNOITCMV-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6CC=CC)C)))))OC)))[nH]cc5cccc6

Functional groups:
CC=C(C)C, cC=O, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

---

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: 1.279

---

Chemical structure download