Diospentenol B

Details

• Internal ID: 4ac8c8b9-f5b4-4427-b83a-08e33c542c24
• Taxonomy: Organoheterocyclic compounds > Pyrans
• IUPAC Name: (7R,7aS)-5-hydroxy-7-prop-2-enyl-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
• InChI: InChI=1S/C11H12O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2-3,5,7,11,13H,1,4,6H2/t7-,11-/m0/s1
• InChI Key: MEGIWLXMJIJNNJ-CPCISQLKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21 g/mol
• Exact Mass: 192.078644241 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 0.90

Synonyms

• (7R,7aS)-5-hydroxy-7-prop-2-enyl-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
• (7R,7aS)-5-hydroxy-7-prop-2-enyl-7,7a-dihydro-2H-cyclopenta(b)pyran-6-one
• RefChem:134561
• CHEBI:206360

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	95.91%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.05%	99.23%
CHEMBL2581	P07339	Cathepsin D	86.50%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.80%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.82%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.64%	86.33%
CHEMBL4530	P00488	Coagulation factor XIII	81.57%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.01%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 102106238
• LOTUS: LTS0080158
• wikiData: Q105162217