Yezoquinolide

Details

• Internal ID: 26d5bced-ea92-4419-9952-d0a603375cfb
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
• IUPAC Name: 2-[(2E,6E)-3,7-dimethyl-8-[(2R)-4-(4-methylpent-3-enyl)-5-oxo-2H-furan-2-yl]octa-2,6-dienyl]-6-methylcyclohexa-2,5-diene-1,4-dione
• InChI: InChI=1S/C27H34O4/c1-18(2)8-6-11-23-17-25(31-27(23)30)14-20(4)10-7-9-19(3)12-13-22-16-24(28)15-21(5)26(22)29/h8,10,12,15-17,25H,6-7,9,11,13-14H2,1-5H3/b19-12+,20-10+/t25-/m1/s1
• InChI Key: PRJQMQHHBMRRQA-LDIVQETISA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₄O₄
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.24570956 g/mol
• Topological Polar Surface Area (TPSA): 60.40 Ų
• XlogP: 6.40

Synonyms

• CHEMBL1668776
• CHEBI:70188
• BDBM50335910
• Q27138527

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
CHEMBL3401	O75469	Pregnane X receptor	95.10%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.35%	95.56%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	90.00%	92.08%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.98%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.86%	99.23%
CHEMBL2581	P07339	Cathepsin D	87.45%	98.95%
CHEMBL2039	P27338	Monoamine oxidase B	82.37%	92.51%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.40%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 51003543
• LOTUS: LTS0172366
• wikiData: Q27138527