Longanin

Details

• Internal ID: 2139b001-fcfb-4270-9341-11744179a59b
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins
• IUPAC Name: (2S)-2-methyl-4-[(2R,8S,16S)-2,8,16-trihydroxytriacontyl]-2H-furan-5-one
• InChI: InChI=1S/C35H66O5/c1-3-4-5-6-7-8-9-10-11-12-14-18-23-32(36)24-19-15-13-16-20-25-33(37)26-21-17-22-27-34(38)29-31-28-30(2)40-35(31)39/h28,30,32-34,36-38H,3-27,29H2,1-2H3/t30-,32-,33-,34+/m0/s1
• InChI Key: OKFLZRPANVZVIQ-KNYYLJOQSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₅H₆₆O₅
• Molecular Weight: 566.90 g/mol
• Exact Mass: 566.49102520 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 11.30

Synonyms

• CHEMBL462816

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
CHEMBL2581	P07339	Cathepsin D	97.09%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.98%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.11%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.42%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	88.87%	92.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.42%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	86.75%	94.73%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.24%	93.56%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	85.07%	85.94%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.75%	97.29%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.23%	91.11%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.26%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.04%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44559076
• LOTUS: LTS0136472
• wikiData: Q105193518