Norbornane, 2,2-dimethyl-5-methylene-

Details

• Internal ID: 11047e3e-fbe8-4695-8c74-2375a59a0b45
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: 2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane
• SMILES (Canonical): CC1(CC2CC1CC2=C)C
• SMILES (Isomeric): CC1(CC2CC1CC2=C)C
• InChI: InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3
• InChI Key: NJZUUYADLXBQPA-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.23 g/mol
• Exact Mass: 136.125200510 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 3.10

Synonyms

• 497-32-5
• Bicyclo(2.2.1)heptane, 2,2-dimethyl-5-methylene-
• Norbornane, 2,2-dimethyl-5-methylene-
• Bicyclo[2.2.1]heptane, 2,2-dimethyl-5-methylene-
• 2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane
• 2,2-Dimethyl-5-methylenebicyclo(2.2.1)heptane
• DTXSID20870565
• NJZUUYADLXBQPA-UHFFFAOYSA-N
• 2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane #

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
CHEMBL3137262	O60341	LSD1/CoREST complex	87.52%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.35%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	84.95%	90.17%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.79%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	81.94%	82.69%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.30%	100.00%

Plants that contains it

• Achillea abrotanoides
• Picea abies

Cross-Links

• PubChem: 101717
• LOTUS: LTS0101851
• wikiData: Q105180417