beta-CITRONELLOL, (+/-)-

Details

Top
Internal ID 99df6723-27f3-4976-9a4a-4ee0655f7812
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name 3,7-dimethyloct-6-en-1-ol
SMILES (Canonical) CC(CCC=C(C)C)CCO
SMILES (Isomeric) CC(CCC=C(C)C)CCO
InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChI Key QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Popularity 2,160 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H20O
Molecular Weight 156.26 g/mol
Exact Mass 156.151415257 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.20

Synonyms

Top
106-22-9
3,7-Dimethyloct-6-en-1-ol
beta-Citronellol
DL-Citronellol
Cephrol
3,7-DIMETHYL-6-OCTEN-1-OL
6-Octen-1-ol, 3,7-dimethyl-
Elenol
2,3-Dihydrogeraniol
Dihydrogeraniol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of beta-CITRONELLOL, (+/-)-

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 3548.1 nM
Potency
via CMAUP
CHEMBL2903 P16050 Arachidonate 15-lipoxygenase 7943.3 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2885 P07451 Carbonic anhydrase III 89.75% 87.45%
CHEMBL2581 P07339 Cathepsin D 89.65% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.34% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.88% 97.29%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.03% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.33% 93.56%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Abies sibirica
Acokanthera oblongifolia
Agathosma betulina
Aloysia citrodora
Alpinia latilabris
Angelica acutiloba
Angelica gigas
Angelica sinensis
Artemisia argyi
Artemisia capillaris
Artemisia judaica
Artemisia montana
Artemisia princeps
Artemisia scoparia
Arum maculatum
Azadirachta indica
Baccharis dracunculifolia
Blepharocalyx salicifolius
Cannabis sativa
Centaurea benedicta
Chamaecyparis lawsoniana
Chamaecyparis obtusa
Cinnamomum sieboldii
Citrus × aurantium
Citrus deliciosa
Citrus hystrix
Citrus maxima
Citrus medica
Citrus trifoliata
Clinopodium gilliesii
Clinopodium serpyllifolium subsp. fruticosum
Conioselinum anthriscoides
Coriandrum sativum
Corymbia citriodora
Corymbia maculata
Croton malambo
Cryptocarya agathophylla
Cryptomeria japonica
Cupressus nootkatensis
Curcuma kwangsiensis
Curcuma longa
Curcuma phaeocaulis
Curcuma wenyujin
Cymbopogon citratus
Cymbopogon flexuosus
Cymbopogon nardus
Cymbopogon winterianus
Daphne odora
Elettaria cardamomum
Elwendia persica
Eucalyptus brassiana
Eucalyptus sideroxylon
Eupatorium cannabinum
Ferula ovina
Foeniculum vulgare
Gossypium hirsutum
Helichrysum italicum
Juniperus communis
Juniperus monticola
Juniperus taxifolia
Kunzea salina
Larix laricina
Laser trilobum
Lavandula angustifolia
Lavandula angustifolia subsp. angustifolia
Lepechinia chamaedryoides
Leptospermum scoparium
Ligusticum officinale
Ligusticum striatum
Litchi chinensis
Litsea cubeba
Lonicera japonica
Magnolia biondii
Magnolia denudata
Magnolia kobus
Magnolia salicifolia
Magnolia sprengeri
Melica uniflora
Micromeria biflora
Morina persica
Myristica fragrans
Myrtus communis
Oenanthe aquatica
Ophrys × arachnitiformis
Origanum majorana
Origanum syriacum
Paeonia lactiflora
Pelargonium graveolens
Pelargonium quercifolium
Pelargonium vitifolium
Pimenta racemosa
Pinellia ternata
Pinus cembra
Piper cubeba
Piper nigrum
Rhanterium epapposum
Rhodiola crenulata
Robinia pseudoacacia
Rosa centifolia
Rosa gallica
Rosa rugosa
Rosmarinus officinalis
Salvia dorisiana
Santalum album
Satureja cuneifolia
Satureja montana
Saxifraga stolonifera
Schisandra chinensis
Sideritis tragoriganum
Solanum tuberosum
Syzygium jambos
Thymus × citriodorus
Thymus baeticus
Thymus carnosus
Thymus funkii
Thymus membranaceus
Thymus sibthorpii
Thymus sipyleus
Thymus zygis
Toddalia asiatica
Umbellularia californica
Vitex agnus-castus
Vitex negundo
Vitis vinifera
Xenophyllum poposum
Xylopia aromatica
Zanthoxylum bungeanum
Zanthoxylum gilletii
Zanthoxylum schinifolium
Zea mays
Zingiber officinale

Cross-Links

Top
PubChem 8842
NPASS NPC24824
ChEMBL CHEMBL395827
LOTUS LTS0090925
wikiData Q27122080