Macrolactin N

Details

• Internal ID: 8d8f8f81-0f15-458e-a6d5-9ef7785771f2
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (3Z,5E,8S,9E,11Z,19E)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
• InChI: InChI=1S/C24H34O4/c1-21-15-9-4-2-5-10-16-22(25)17-11-6-3-7-12-18-23(26)19-13-8-14-20-24(27)28-21/h2-3,5,7-8,12-14,18,20-21,23,26H,4,6,9-11,15-17,19H2,1H3/b5-2+,7-3-,13-8+,18-12+,20-14-/t21?,23-/m1/s1
• InChI Key: RSTZNFQDRKJJEI-VQFWTTNISA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₄O₄
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.24570956 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 5.10

Synonyms

• CHEMBL425430
• BDBM50411101
• (3Z,5E,8S,9E,11Z,19E)-8-hydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.05%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.11%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.11%	97.25%
CHEMBL241	Q14432	Phosphodiesterase 3A	89.68%	92.94%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	88.44%	91.07%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.41%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.03%	99.23%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	86.80%	86.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.25%	97.09%
CHEMBL2581	P07339	Cathepsin D	84.96%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.19%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.52%	89.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16046174
• LOTUS: LTS0136016
• wikiData: Q105244873