Summary

IMPPAT Phytochemical identifier: IMPHY007065

Phytochemical name: Indole-3-acetate

Synonymous chemical names:
auxin

External chemical identifiers:
CID:801, ChEBI:30854

---

Chemical structure information

SMILES:
[O-]C(=O)Cc1c[nH]c2c1cccc2

InChI:
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1

InChIKey:
SEOVTRFCIGRIMH-UHFFFAOYSA-M

DeepSMILES:
[O-]C=O)Ccc[nH]cc5cccc6

Functional groups:
CC(=O)[O-], c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indolyl carboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids, Simple oxindole alkaloids

NP-Likeness score: -0.402

---

Chemical structure download