Zygosporind

Details

• Internal ID: 928b6326-400c-40d7-93bb-4d1a43965362
• Taxonomy: Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones
• IUPAC Name: 16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-6,18-dione
• InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16-17,20-24,30-31,34H,3,9,15H2,1-2,4H3,(H,29,33)
• InChI Key: DMUBZPWTFAPROZ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₃₅NO₅
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.25152322 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 2.20

Synonyms

• 25374-67-8
• NS00121062

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
CHEMBL2581	P07339	Cathepsin D	98.45%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.47%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	94.99%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.57%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.51%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.36%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.16%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.61%	94.45%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.65%	95.50%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	84.39%	97.64%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.94%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.85%	99.23%
CHEMBL4208	P20618	Proteasome component C5	80.78%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73716956
• LOTUS: LTS0075113
• wikiData: Q104985325