6-Hydroperoxy-3,7-dimethylidene-10-propan-2-ylcyclodecene

Details

• Internal ID: 8775e1b1-6155-4f71-b900-3f00d99299f4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: 6-hydroperoxy-3,7-dimethylidene-10-propan-2-ylcyclodecene
• SMILES (Canonical): CC(C)C1CCC(=C)C(CCC(=C)C=C1)OO
• SMILES (Isomeric): CC(C)C1CCC(=C)C(CCC(=C)C=C1)OO
• InChI: InChI=1S/C15H24O2/c1-11(2)14-8-5-12(3)6-10-15(17-16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3
• InChI Key: VYZPNMHIRSODAT-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 3.70

Synonyms

There are no found synonyms.

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	91.70%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.85%	97.25%
CHEMBL2581	P07339	Cathepsin D	85.63%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.13%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.99%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.57%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.44%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.44%	95.56%

Plants that contains it

• Senecio glanduloso-pilosus

Cross-Links

• PubChem: 162982448
• LOTUS: LTS0271717
• wikiData: Q105299576