Phyto4Health

(3E,6E)-3,7,11-Trimethyldodeca-1,3,6,10-Tetraene

Representations & DB's id

ChEBI: CHEBI:10280
ChEMBL: CHEMBL3182226
PubChem: 5281516
IUPAC: (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
Standard InChI: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
Standard InChI Key: CXENHBSYCFFKJS-VDQVFBMKSA-N
SMILES: C=C/C(=C/C/C=C(/CCC=C(C)C)C)/C

Molecular propeties

AlogP: 5.2
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 6
Number of rings: 0
Molecular Weight: 204.19
Topological polar surface area: 0
Number of aromatic rings: 0
Fsp3: 0.467
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantPanax ginseng
PlantPanax ginseng
HerbaHypericum perforatum
FructusSchisandra chinensis
ImmaturusCitrus unshiu
PlantPrunus persica
PlantThymus vulgaris
PlantGossypium herbaceum
StrobilusHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.