(-)-Dihydromyrcene

Details

• Internal ID: 27341ff9-dc73-4d80-9afd-3ef2f56ff26e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
• IUPAC Name: (3R)-3,7-dimethylocta-1,6-diene
• SMILES (Canonical): CC(CCC=C(C)C)C=C
• SMILES (Isomeric): C[C@H](CCC=C(C)C)C=C
• InChI: InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m0/s1
• InChI Key: FUDNBFMOXDUIIE-JTQLQIEISA-N
• Popularity: 16 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.25 g/mol
• Exact Mass: 138.140850574 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.20

Synonyms

• R-Citronellene
• 10281-56-8
• (-)-beta-Citronellene
• Dihydromyrcene, (-)-
• (3R)-3,7-DIMETHYLOCTA-1,6-DIENE
• (R)-3,7-Dimethyl-1,6-octadiene
• (-)-(R)-beta-Citronellene
• UNII-18B648YA2C
• 1,6-Octadiene, 3,7-dimethyl-, (3R)-
• 18B648YA2C
• (R)-3,7-Dimethylocta-1,6-diene
• (R)-Citronellene
• BETA-CITRONELLENE
• (-)-citronellene
• (-)-.beta.-Citronellene
• DTXSID0058726
• FUDNBFMOXDUIIE-JTQLQIEISA-N
• R(-)3,7-Dimethyl-1,6-octadiene
• (-)-(R)-.BETA.-CITRONELLENE
• 3,7-Dimethyl-1,6-octadiene, (3R)- #
• J-000806
• J-519844
• Q27251992
• (-)-beta-Citronellene, technical, >=90% (sum of enantiomers, GC)

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	89.43%	98.95%
CHEMBL2885	P07451	Carbonic anhydrase III	87.08%	87.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.96%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.53%	94.45%

Plants that contains it

• Arum maculatum
• Schisandra chinensis
• Zingiber officinale

Cross-Links

• PubChem: 10997105
• NPASS: NPC135640
• LOTUS: LTS0265368
• wikiData: Q27251992