Summary

IMPPAT Phytochemical identifier: IMPHY014249

Phytochemical name: Naphthalen-1(2h)-one

Synonymous chemical names:
naphthalenone

External chemical identifiers:
CID:12446728, ZINC:ZINC000102237844, SureChEMBL:SCHEMBL249997

---

Chemical structure information

SMILES:
O=C1CC=Cc2c1cccc2

InChI:
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6H,7H2

InChIKey:
RZPFVRFSYMUDJO-UHFFFAOYSA-N

DeepSMILES:
O=CCC=Ccc6cccc6

Functional groups:
cC(C)=O, cC=CC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC=Cc2ccccc21

Scaffold Graph/Node level:
OC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 1.001

---

Chemical structure download