Summary
IMPPAT Phytochemical identifier: IMPHY001548
Phytochemical name: Geranylacetone
Synonymous chemical names:(e)-6,10-dimethyl-5,9-undecadien-2-one, alpha-beta-dihydropseudoionone, beta-dihydropseudoionone, geran ylacetone, geranyl acetone, geranyl acetone, geranylacetone, trans-geranyl acetone, trans-geranylacetone
External chemical identifiers:CID:1549778, ChEBI:67206, ZINC:ZINC000001599359, FDASRS:9B7RY79U9Z, SureChEMBL:SCHEMBL112855, MolPort-001-769-753
Chemical structure information
SMILES:
C/C(=CCCC(=O)C)/CCC=C(C)CInChI:
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+InChIKey:
HNZUNIKWNYHEJJ-FMIVXFBMSA-NDeepSMILES:
C/C=CCCC=O)C)))))/CCC=CC)CFunctional groups:
C/C=C(/C)C, CC(C)=O, CC=C(C)C
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Monoterpenoids
NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids
NP Classifier Superclass: Apocarotenoids, Fatty acyls
NP Classifier Class: Apocarotenoids (Ψ-), Hydrocarbons
NP-Likeness score: 2.115
Chemical structure download