4-Hydroxy-5-(2-methylprop-1-enyl)-3-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)oxolan-2-one

Details

• Internal ID: 463c6e65-5cec-4696-9a4f-5183b45174c7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids
• IUPAC Name: 4-hydroxy-5-(2-methylprop-1-enyl)-3-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)oxolan-2-one
• InChI: InChI=1S/C30H44O4/c1-17(2)15-19-24(32)23(25(33)34-19)18-9-11-28(6)21-8-7-20-26(3,4)22(31)10-12-29(20)16-30(21,29)14-13-27(18,28)5/h15,18-21,23-24,32H,7-14,16H2,1-6H3
• InChI Key: LRTQKAOVDCIAEV-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₄O₄
• Molecular Weight: 468.70 g/mol
• Exact Mass: 468.32395988 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 6.70

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
CHEMBL204	P00734	Thrombin	97.99%	96.01%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.22%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.98%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.35%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.95%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.73%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.03%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.86%	94.45%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	82.23%	83.57%
CHEMBL1937	Q92769	Histone deacetylase 2	81.77%	94.75%
CHEMBL1902	P62942	FK506-binding protein 1A	80.12%	97.05%

Plants that contains it

• Aglaia argentea

Cross-Links

• PubChem: 85182261
• LOTUS: LTS0090186
• wikiData: Q105156316