Glabramycin C

Details

• Internal ID: a275d708-25fb-4837-86e4-8e772e9dfd49
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: (2E,4E,6E)-7-[(1R,12R,16S)-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid
• InChI: InChI=1S/C22H24O6/c1-14-8-6-7-9-15-16(23)12-13-18-20(15)21(22(26)27-14)17(28-18)10-4-2-3-5-11-19(24)25/h2-5,10-15,18,20H,6-9H2,1H3,(H,24,25)/b3-2+,10-4+,11-5+/t14?,15-,18+,20+/m0/s1
• InChI Key: JNAUHZYEDHLHAJ-XGCDNSQESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₄O₆
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.15728848 g/mol
• Topological Polar Surface Area (TPSA): 89.90 Ų
• XlogP: 3.20

Synonyms

There are no found synonyms.

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
CHEMBL221	P23219	Cyclooxygenase-1	92.63%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.41%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.60%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.24%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.46%	97.09%
CHEMBL1902	P62942	FK506-binding protein 1A	84.87%	97.05%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.61%	86.33%
CHEMBL2581	P07339	Cathepsin D	83.50%	98.95%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.39%	93.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44131329
• LOTUS: LTS0071727
• wikiData: Q75068022