Xeniafaraunol A

Details

• Internal ID: 20da18b7-fffe-414e-a8d9-a02a0b85077d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: (1S,2R,4aS,7E,11aR)-1-hydroxy-7-methyl-11-methylidene-2-(2-methylprop-1-enyl)-1,2,4a,5,6,9,10,11a-octahydrobenzo[9]annulene-4-carbaldehyde
• InChI: InChI=1S/C20H28O2/c1-13(2)10-16-11-17(12-21)18-9-8-14(3)6-5-7-15(4)19(18)20(16)22/h6,10-12,16,18-20,22H,4-5,7-9H2,1-3H3/b14-6+/t16-,18-,19+,20+/m1/s1
• InChI Key: WGIBCPUMAZHVMA-WZSRSYCDSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.40 g/mol
• Exact Mass: 300.208930132 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.60

Synonyms

• 161162-29-4
• HY-149999
• CS-0835355

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.86%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.91%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.72%	96.09%
CHEMBL2581	P07339	Cathepsin D	86.36%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.32%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.01%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.98%	95.89%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.70%	97.25%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.63%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10402563
• LOTUS: LTS0236775
• wikiData: Q105304516