Summary

IMPPAT Phytochemical identifier: IMPHY014219

Phytochemical name: 1,2-Dihydronaphthalen-2-one

Synonymous chemical names:
2(1h)-naphthalenone

External chemical identifiers:
CID:11400841, SureChEMBL:SCHEMBL461295

---

Chemical structure information

SMILES:
O=C1C=Cc2c(C1)cccc2

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

InChIKey:
WZCKOKPKQZIGNU-UHFFFAOYSA-N

DeepSMILES:
O=CC=CccC6)cccc6

Functional groups:
cC=CC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.472

---

Chemical structure download