(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol

Details

• Internal ID: 40f248a1-4fbc-481f-b845-4d26fc4808df
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
• IUPAC Name: (4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
• SMILES (Canonical): CC(=CC(CC(=C)C=C)O)C
• SMILES (Isomeric): CC(=C[C@@H](CC(=C)C=C)O)C
• InChI: InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m0/s1
• InChI Key: NHMKYUHMPXBMFI-JTQLQIEISA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.23 g/mol
• Exact Mass: 152.120115130 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.20

Synonyms

• R-ipsdienol
• 60894-97-5
• (4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
• 2-Methyl-6-methylene-2,7-octadien-4R-ol
• (4R)-ipsdienol
• (R)-(-)-ipsdienol
• (4R)-(-)-ipsdienol
• 2,7-Octadien-4-ol, 2-methyl-6-methylene-, (4R)-
• SCHEMBL9629960
• CHEBI:84970
• DTXSID501263967
• LMPR0102010026
• C20943
• (4R)-2-Methyl-6-methylene-2,7-octadien-4-ol
• (4R)-2-Methyl-6-methyleneocta-2,7-dien-4-ol
• (4R)-2-methyl-6-methyloctadeca-2,7-dien-4ol
• Q27158231

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	92.92%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.50%	96.09%
CHEMBL203	P00533	Epidermal growth factor receptor erbB1	92.06%	97.34%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.86%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.18%	97.21%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.24%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.77%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 181296
• LOTUS: LTS0042362
• wikiData: Q27158231