Latifoloside C

Details

• Internal ID: 2580c27c-1fab-4b71-b509-fbb95c8e76b3
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• InChI: InChI=1S/C53H86O22/c1-22-31(57)34(60)37(63)43(69-22)74-41-40(73-44-38(64)35(61)32(58)25(19-54)70-44)24(56)21-68-46(41)72-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-30-42(66)48(2,3)15-17-53(30,18-16-51(23,52)7)47(67)75-45-39(65)36(62)33(59)26(20-55)71-45/h9,22,24-46,54-66H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
• InChI Key: OWJMPCBRZTYZJR-MZRTYAAGSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₃H₈₆O₂₂
• Molecular Weight: 1075.20 g/mol
• Exact Mass: 1074.56107437 g/mol
• Topological Polar Surface Area (TPSA): 354.00 Ų
• XlogP: 0.10

Synonyms

• CHEMBL506924

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.47%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.18%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.23%	98.95%
CHEMBL3714130	P46095	G-protein coupled receptor 6	91.70%	97.36%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.96%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.16%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.48%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.66%	86.33%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	84.36%	96.77%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	82.87%	96.21%
CHEMBL5255	O00206	Toll-like receptor 4	82.79%	92.50%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	82.51%	95.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.29%	100.00%
CHEMBL5028	O14672	ADAM10	81.51%	97.50%
CHEMBL237	P41145	Kappa opioid receptor	81.08%	98.10%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.96%	94.00%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.92%	91.24%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.26%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.25%	99.17%
CHEMBL226	P30542	Adenosine A1 receptor	80.09%	95.93%

Plants that contains it

• Ilex latifolia

Cross-Links

• PubChem: 44566326
• LOTUS: LTS0204362
• wikiData: Q105202044