Multiforisin E

Details

• Internal ID: 6f1bb617-3d3b-4214-a34e-65c0b2bba3d6
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 4-methoxy-5-(methoxymethyl)-6-oxo-2-[(E)-prop-1-enyl]pyran-3-carbaldehyde
• SMILES (Canonical): CC=CC1=C(C(=C(C(=O)O1)COC)OC)C=O
• SMILES (Isomeric): C/C=C/C1=C(C(=C(C(=O)O1)COC)OC)C=O
• InChI: InChI=1S/C12H14O5/c1-4-5-10-8(6-13)11(16-3)9(7-15-2)12(14)17-10/h4-6H,7H2,1-3H3/b5-4+
• InChI Key: KXNLYNMPDUFUFH-SNAWJCMRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄O₅
• Molecular Weight: 238.24 g/mol
• Exact Mass: 238.08412354 g/mol
• Topological Polar Surface Area (TPSA): 61.80 Ų
• XlogP: 0.30

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.04%	95.56%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	92.84%	98.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.48%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	87.32%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.80%	86.92%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.13%	94.00%
CHEMBL2581	P07339	Cathepsin D	84.23%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.57%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11776334
• LOTUS: LTS0029426
• wikiData: Q77498547