Summary

IMPPAT Phytochemical identifier: IMPHY001920

Phytochemical name: 1'-Acetonaphthone

Synonymous chemical names:
1-aceto-napthone

External chemical identifiers:
CID:13663, ZINC:ZINC000001688258, FDASRS:U44R403XVS, SureChEMBL:SCHEMBL50651, MolPort-000-871-230

---

Chemical structure information

SMILES:
CC(=O)c1cccc2c1cccc2

InChI:
InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3

InChIKey:
QQLIGMASAVJVON-UHFFFAOYSA-N

DeepSMILES:
CC=O)cccccc6cccc6

Functional groups:
cC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: -0.452

---

Chemical structure download