9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

Details

• Internal ID: f8651372-9f39-4877-a0b1-26bc4c3fd15f
• Taxonomy: Organoheterocyclic compounds > Oxazinanes > Morpholines
• IUPAC Name: 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
• SMILES (Canonical): CN1C2CC(CC1C3C2O3)O
• SMILES (Isomeric): CN1C2CC(CC1C3C2O3)O
• InChI: InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3
• InChI Key: FIMXSEMBHGTNKT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.19 g/mol
• Exact Mass: 155.094628657 g/mol
• Topological Polar Surface Area (TPSA): 36.00 Ų
• XlogP: -0.20

Synonyms

• 1054561-82-8
• SCHEMBL1191607
• FIMXSEMBHGTNKT-UHFFFAOYSA-N
• AKOS015961980
• AB86974
• AC-15492
• AS-55901
• FT-0600378
• 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4J nonan-7-ol
• (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4]nonan-7-ol
• (2R,4S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol

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	93.67%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.86%	97.25%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	83.99%	98.46%
CHEMBL4040	P28482	MAP kinase ERK2	83.62%	83.82%

Plants that contains it

• Cyphanthera myosotidea
• Datura stramonium

Cross-Links

• PubChem: 274439
• LOTUS: LTS0181992
• wikiData: Q104995785