Irpenigirin A

Details

• Internal ID: eeb12750-0278-4277-a846-d96981ebb65e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: (6E,10R,11S,14S,15R,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,18-diene-2,10,11,14,15,23-hexol
• InChI: InChI=1S/C30H58O6/c1-23(13-9-19-27(3,4)33)15-11-21-29(7,35)25(31)17-18-26(32)30(8,36)22-12-16-24(2)14-10-20-28(5,6)34/h15-16,25-26,31-36H,9-14,17-22H2,1-8H3/b23-15+,24-16+/t25-,26-,29+,30+/m0/s1
• InChI Key: LVVVRYBRIUFULZ-XHARVQFDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₅₈O₆
• Molecular Weight: 514.80 g/mol
• Exact Mass: 514.42333957 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: 4.60

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.87%	97.25%
CHEMBL2581	P07339	Cathepsin D	90.36%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.79%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	88.49%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.64%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.18%	91.11%
CHEMBL2039	P27338	Monoamine oxidase B	83.17%	92.51%
CHEMBL1907	P15144	Aminopeptidase N	81.89%	93.31%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.06%	89.34%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.34%	85.14%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	80.18%	96.90%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682809
• LOTUS: LTS0083666
• wikiData: Q105158086