Macrolactin K

Details

• Internal ID: 006305a0-495c-412c-a526-69daec421173
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (3Z,5E,9E,11E,19E)-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
• InChI: InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,9-12,14,18,20-21,23,25,27H,3,7-8,13,15-17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,18-12-
• InChI Key: KMKZBIGDFUKDCN-UKUXIYMASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₄O₅
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.24062418 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 4.10

Synonyms

• SCHEMBL14890707

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	95.91%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.55%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.68%	98.95%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	88.49%	91.07%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.11%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.54%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.99%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.50%	92.94%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.41%	97.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.26%	95.89%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	85.37%	86.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.46%	85.14%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.75%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10318941
• LOTUS: LTS0212444
• wikiData: Q77373631