Scirpyrane A

Details

• Internal ID: c07cd81c-9a68-4c31-9a95-b244ac17d3a4
• Taxonomy: Organoheterocyclic compounds > Furopyrans
• IUPAC Name: (2S,3S,7S,7aS)-3-hydroxy-4-methoxy-7-methyl-2-prop-1-enyl-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one
• InChI: InChI=1S/C12H16O5/c1-4-5-7-9(13)11(15-3)8-10(17-7)6(2)16-12(8)14/h4-7,9-10,13H,1-3H3/t6-,7-,9-,10+/m0/s1
• InChI Key: MALLXYWJMJGPQU-ZRUAGYDASA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.25 g/mol
• Exact Mass: 240.09977361 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 0.10

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	94.82%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.86%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.27%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	89.13%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.44%	99.23%
CHEMBL2581	P07339	Cathepsin D	83.79%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.77%	85.14%
CHEMBL1951	P21397	Monoamine oxidase A	80.99%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.53%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587156
• LOTUS: LTS0067727
• wikiData: Q77559358