Bicyclo[2.2.1]heptan-2-ol, 2-methyl-3-methylene-, exo-

Details

• Internal ID: a1e017d5-4f72-4af5-b620-942a407e4dc4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: (1R,2S,4S)-2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-ol
• InChI: InChI=1S/C9H14O/c1-6-7-3-4-8(5-7)9(6,2)10/h7-8,10H,1,3-5H2,2H3/t7-,8+,9+/m0/s1
• InChI Key: RZEAOYIZHBELOJ-DJLDLDEBSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21 g/mol
• Exact Mass: 138.104465066 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 1.10

Synonyms

• Bicyclo[2.2.1]heptan-2-ol, 2-methyl-3-methylene-, exo-
• 59300-40-2

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.20%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.79%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.41%	91.11%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.57%	92.94%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.46%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.92%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.49%	95.89%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.42%	95.50%

Plants that contains it

• Santalum album

Cross-Links

• PubChem: 162890626
• LOTUS: LTS0127569
• wikiData: Q105248332