10-Hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-one

Details

• Internal ID: e9546969-8d4c-4450-8163-b1b9115525ad
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: 10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-one
• InChI: InChI=1S/C30H48O3/c1-17-8-13-30-15-14-29(7)24(23(30)18(17)2)19(33-25(30)32)16-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,29)6/h17-24,31H,8-16H2,1-7H3
• InChI Key: WPBGCPZWNLNRGV-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.70 g/mol
• Exact Mass: 456.36034539 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 7.70

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
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	93.67%	82.69%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.89%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.87%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.86%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.17%	94.45%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	82.86%	85.30%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.77%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.31%	95.56%
CHEMBL1871	P10275	Androgen Receptor	80.02%	96.43%

Plants that contains it

• Mallotus repandus

Cross-Links

• PubChem: 163075160
• LOTUS: LTS0132809
• wikiData: Q105309786