Euglobal G1

Details

• Internal ID: 63af87bd-937b-4515-89b8-3590d746cadc
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes
• IUPAC Name: (1R,2S,11R,13S)-6,8-dihydroxy-2,14,14-trimethyl-5-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-7-carbaldehyde
• SMILES (Canonical): CC(C)CC(=O)C1=C2C(=C(C(=C1O)C=O)O)CC3CC4CC(C4(C)C)C3(O2)C
• SMILES (Isomeric): CC(C)CC(=O)C1=C2C(=C(C(=C1O)C=O)O)C[C@H]3C[C@H]4C[C@@H]([C@]3(O2)C)C4(C)C
• InChI: InChI=1S/C23H30O5/c1-11(2)6-16(25)18-20(27)15(10-24)19(26)14-8-13-7-12-9-17(22(12,3)4)23(13,5)28-21(14)18/h10-13,17,26-27H,6-9H2,1-5H3/t12-,13+,17+,23-/m0/s1
• InChI Key: SFBXDLHLJDQOFR-UTNBYVNNSA-N
• Popularity: 10 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: 5.20

Synonyms

• SCHEMBL96089
• MLS002473165
• CHEMBL1718912
• NCGC00247477-01
• SMR001397257
• (1R,2S,11R,13S)-6,8-dihydroxy-2,14,14-trimethyl-5-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-7-carbaldehyde

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.32%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.87%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.61%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.49%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	89.70%	90.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.90%	89.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.50%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.89%	94.45%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	85.86%	98.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.60%	97.09%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	84.95%	96.47%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	83.61%	85.11%
CHEMBL5103	Q969S8	Histone deacetylase 10	82.62%	90.08%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	82.21%	98.11%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	81.82%	89.67%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.77%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	80.89%	94.73%

Plants that contains it

• Eucalyptus grandis

Cross-Links

• PubChem: 10068739
• LOTUS: LTS0071880
• wikiData: Q105251658