CID 15511236

Details

• Internal ID: 21b50857-d1c7-4860-be1b-97c1f23446b5
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• InChI: InChI=1S/C40H54O5/c1-29(16-12-17-31(3)20-21-35-36(4,5)24-33(42)26-38(35,8)44)14-10-11-15-30(2)18-13-19-32(28-41)22-23-40-37(6,7)25-34(43)27-39(40,9)45-40/h10-20,33-34,41-44H,24-28H2,1-9H3/b11-10+,16-12+,18-13+,29-14+,30-15+,31-17+,32-19-/t21?,33-,34-,38+,39+,40-/m0/s1
• InChI Key: PLPBVFIAZITKRV-DOSQSNLXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₅₄O₅
• Molecular Weight: 614.90 g/mol
• Exact Mass: 614.39712482 g/mol
• Topological Polar Surface Area (TPSA): 93.50 Ų
• XlogP: 7.20

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	97.95%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.56%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.28%	89.00%
CHEMBL4208	P20618	Proteasome component C5	84.14%	90.00%
CHEMBL2581	P07339	Cathepsin D	82.95%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.95%	86.33%
CHEMBL2996	Q05655	Protein kinase C delta	82.52%	97.79%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.02%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	80.62%	90.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 15511236
• LOTUS: LTS0128427
• wikiData: Q105211110