Ceramicines C

Details

• Internal ID: ea73df68-2746-4929-9f5a-5cfa00919c5a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids
• IUPAC Name: [(1R,2S,4S,5S,6S,10R,11S,12R,15R,19S)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-18-oxo-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-8,16-dien-4-yl] 2-methylprop-2-enoate
• InChI: InChI=1S/C30H36O6/c1-16(2)26(33)36-22-13-20-29(5,19-8-7-18(28(19,22)4)17-10-12-34-14-17)25(32)23-24-27(3,15-35-23)11-9-21(31)30(20,24)6/h8-12,14,18,20,22-25,32H,1,7,13,15H2,2-6H3/t18-,20-,22-,23+,24-,25+,27-,28-,29-,30-/m0/s1
• InChI Key: KVENECVQNDUZLK-GAEFUUMCSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₃₆O₆
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.25118886 g/mol
• Topological Polar Surface Area (TPSA): 86.00 Ų
• XlogP: 4.10

Synonyms

• Ceramicine C
• RefChem:124452
• CHEMBL457713

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	98.69%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	96.85%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.42%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.90%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.85%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.72%	97.09%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	89.55%	82.69%
CHEMBL340	P08684	Cytochrome P450 3A4	88.96%	91.19%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.80%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.41%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.31%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.79%	99.23%
CHEMBL2581	P07339	Cathepsin D	85.82%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	84.50%	91.49%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.88%	91.07%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.75%	100.00%
CHEMBL5028	O14672	ADAM10	81.44%	97.50%

Plants that contains it

• Chisocheton ceramicus

Cross-Links

• PubChem: 42609929
• NPASS: NPC141538
• ChEMBL: CHEMBL457713
• LOTUS: LTS0115430
• wikiData: Q105146484