Phyto4Health

(+)-Citronellol

Representations & DB's id

ChEBI: CHEBI:10360
ChEMBL: CHEMBL1907993
PubChem: 101977
IUPAC: (3R)-3,7-dimethyloct-6-en-1-ol
Standard InChI: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
Standard InChI Key: QMVPMAAFGQKVCJ-SNVBAGLBSA-N
SMILES: OCC[C@@H](CCC=C(C)C)C

Molecular propeties

AlogP: 2.75
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 5
Number of rings: 0
Molecular Weight: 156.15
Topological polar surface area: 20.2
Number of aromatic rings: 0
Fsp3: 0.8
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantCoriandrum sativum
PlantZea mays
PlantPrunus laurocerasus
PlantSchisandra chinensis
PlantSchisandra chinensis
PlantCitrus unshiu
PlantMelissa officinalis
PlantMelissa officinalis
PlantBidens tripartita
PlantSalvia officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others270 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Others0 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others1010 pm/min/mgUDP-glucuronosyltransferase 2A1Q9Y4X1