Summary

IMPPAT Phytochemical identifier: IMPHY001092

Phytochemical name: 2,6-Dimethyloct-7-en-4-one

Synonymous chemical names:
2,6-dimethyl-7-octen-4-one, dihydro tagetone, dihydro-tagetone, dihydrotagetone

External chemical identifiers:
CID:102706, SureChEMBL:SCHEMBL6903513

---

Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3

InChIKey:
VUSBHGLIAQXBSW-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=O)CCC)C)))))C

Functional groups:
C=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: 1.624

---

Chemical structure download