Cupreal

Details

• Internal ID: 297ffb13-c7b2-44e5-963f-3553a68c208b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (1aR,2S,3S,3aS,6aS,6bR)-2-(hydroxymethyl)-3,5,5,6b-tetramethyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopropa[e]indene-1a-carbaldehyde
• InChI: InChI=1S/C16H26O2/c1-10-11-5-14(2,3)6-12(11)15(4)8-16(15,9-18)13(10)7-17/h9-13,17H,5-8H2,1-4H3/t10-,11-,12-,13-,15+,16+/m0/s1
• InChI Key: OQGRKMOEWMSLFR-OBPPPDSMSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38 g/mol
• Exact Mass: 250.193280068 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.00

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.26%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.28%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.82%	97.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	91.15%	89.34%
CHEMBL218	P21554	Cannabinoid CB1 receptor	89.31%	96.61%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.79%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.75%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.73%	91.11%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.14%	95.50%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.00%	93.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.91%	85.14%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.00%	91.07%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585934
• LOTUS: LTS0084468
• wikiData: Q77495091