Oncostemonol B

Details

• Internal ID: ae3c3b7e-9fd3-4e3e-aa4a-3fd1c2abdcf8
• Taxonomy: Benzenoids > Phenol esters
• IUPAC Name: [3-[(Z)-16-(3,5-dihydroxyphenyl)hexadec-8-enyl]-5-hydroxyphenyl] acetate
• InChI: InChI=1S/C30H42O5/c1-24(31)35-30-21-26(20-29(34)23-30)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-25-18-27(32)22-28(33)19-25/h2-3,18-23,32-34H,4-17H2,1H3/b3-2-
• InChI Key: CATXXSJNZBRPTC-IHWYPQMZSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₄₂O₅
• Molecular Weight: 482.60 g/mol
• Exact Mass: 482.30322444 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 9.50

Synonyms

• CHEMBL458522

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	97.98%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.82%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.55%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.05%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	92.42%	94.73%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	91.10%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.21%	96.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.72%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.75%	94.45%
CHEMBL2179	P04062	Beta-glucocerebrosidase	86.68%	85.31%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.73%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.88%	95.56%
CHEMBL4208	P20618	Proteasome component C5	81.85%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11755009
• LOTUS: LTS0088584
• wikiData: Q104951909