(5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene

Details

• Internal ID: 572fd8c7-d587-469a-b1ff-4a4f3330e6eb
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (5R,6R)-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene
• InChI: InChI=1S/C15H22/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h5-6,13H,3,7-10H2,1-2,4H3/t13-,15+/m1/s1
• InChI Key: CSRZVTLTICSDRH-HIFRSBDPSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂
• Molecular Weight: 202.33 g/mol
• Exact Mass: 202.172150702 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.50

Synonyms

• (5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
• Spiro[4.5]dec-7-ene, 10-methyl-6-methylene-2-(1-methylethylidene)-, (5R,10R)-
• Spiro[4.5]dec-7-ene, 10-methyl-6-methylene-2-(1-methylethylidene)-, (5R-cis)-
• Spiro[4.5]dec-7-ene, 2-isopropylidene-10-methyl-6-methylene-, (5R,10R)-(-)-

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.33%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.44%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.81%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.40%	100.00%

Plants that contains it

• Aquilaria malaccensis

Cross-Links

• PubChem: 91714783
• LOTUS: LTS0123739
• wikiData: Q104375350