Exiguamide

Details

• Internal ID: 86ab33c7-5e95-4444-a518-ee4d07cf46f5
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: N-[(5S,6S,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]formamide
• SMILES (Canonical): CC1CCC(C(C12CCC(=C2)C)NC=O)C(C)C
• SMILES (Isomeric): C[C@H]1CC[C@H]([C@H]([C@@]12CCC(=C2)C)NC=O)C(C)C
• InChI: InChI=1S/C16H27NO/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9-11,13-15H,5-8H2,1-4H3,(H,17,18)/t13-,14-,15+,16+/m0/s1
• InChI Key: GXPBEWRNMRAUIQ-CAOSSQGBSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₇NO
• Molecular Weight: 249.39 g/mol
• Exact Mass: 249.209264485 g/mol
• Topological Polar Surface Area (TPSA): 29.10 Ų
• XlogP: 3.90

Synonyms

• CHEMBL104024
• N-[(5S,6S,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]formamide

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
CHEMBL4481	P35228	Nitric oxide synthase, inducible	94.38%	94.80%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.46%	95.56%
CHEMBL4072	P07858	Cathepsin B	89.80%	93.67%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.83%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.26%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.71%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.95%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.23%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	82.15%	96.47%
CHEMBL5028	O14672	ADAM10	80.98%	97.50%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.18%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.13%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11064806
• LOTUS: LTS0104660
• wikiData: Q105023259