Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017840

Phytochemical name: Hepta-3,5-dien-2-one

Synonymous chemical names:
hepta-3,5-dien-2-one

External chemical identifiers:
CID:CID_19803

---

Chemical structure information

SMILES:
CC=CC=CC(=O)C

InChI:
InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3

InChIKey:
SWGLACWOVFCDQS-UHFFFAOYSA-N

DeepSMILES:
CC=CC=CC=O)C

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

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.692

---

Chemical structure download