Euglobal Ib

Details

• Internal ID: deb9a2a9-2dbd-4bf3-8228-6f9e8ce06a2b
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
• IUPAC Name: 5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde
• SMILES (Canonical): CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
• SMILES (Isomeric): CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
• InChI: InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3
• InChI Key: DRQVGVASTZKOLP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.20932405 g/mol
• Topological Polar Surface Area (TPSA): 83.80 Ų
• XlogP: 5.50

Synonyms

• CHEBI:175084
• 5,7-dihydroxy-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-6,8-dicarbaldehyde

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.16%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.77%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.33%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.52%	98.95%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	89.06%	98.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.73%	97.25%
CHEMBL4227	P25090	Lipoxin A4 receptor	84.02%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.41%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.08%	97.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.61%	93.56%

Plants that contains it

• Eucalyptus globulus

Cross-Links

• PubChem: 73819907
• LOTUS: LTS0216093
• wikiData: Q104987581