Macrolactin M

Details

• Internal ID: 1a1ef08f-73c5-4057-b43b-f86989a9e423
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (3Z,5E,9E,11Z,17E,19E)-24-ethyl-8,14,16-trihydroxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
• InChI: InChI=1S/C25H36O5/c1-2-24-18-12-5-3-4-8-16-22(27)20-23(28)17-11-6-9-14-21(26)15-10-7-13-19-25(29)30-24/h3-4,6-11,13-14,16,19,21-24,26-28H,2,5,12,15,17-18,20H2,1H3/b4-3+,10-7+,11-6-,14-9+,16-8+,19-13-
• InChI Key: PNIHJNURJFVDOY-RHVSHOKMSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₃₆O₅
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.25627424 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 5.00

Synonyms

• RefChem:154987
• 200625-26-9
• SCHEMBL1836868
• CHEBI:207598
• (3Z,5E,9E,11Z,17E,19E)-24-ethyl-8,14,16-trihydroxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.79%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.65%	97.09%
CHEMBL2581	P07339	Cathepsin D	90.14%	98.95%
CHEMBL230	P35354	Cyclooxygenase-2	90.09%	89.63%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.66%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.30%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.77%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.81%	86.33%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.70%	91.07%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.50%	99.23%
CHEMBL1871	P10275	Androgen Receptor	81.96%	96.43%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.07%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9888162
• LOTUS: LTS0213530
• wikiData: Q77516459