Diaporol A

Details

• Internal ID: 39d3b41b-145d-44f5-b84f-e9c0cbc19eac
• Taxonomy: Organoheterocyclic compounds > Lactones > Delta valerolactones
• IUPAC Name: (5aS,9aR)-5a-(2-hydroxypropan-2-yl)-9a-methyl-4,5,8,9-tetrahydro-1H-furo[3,4-f]chromene-3,7-dione
• InChI: InChI=1S/C15H20O5/c1-13(2,18)15-7-4-9-10(8-19-12(9)17)14(15,3)6-5-11(16)20-15/h18H,4-8H2,1-3H3/t14-,15-/m1/s1
• InChI Key: XVLAPOPJFILILC-HUUCEWRRSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32 g/mol
• Exact Mass: 280.13107373 g/mol
• Topological Polar Surface Area (TPSA): 72.80 Ų
• XlogP: 0.50

Synonyms

• CHEMBL2152457

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	96.34%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.98%	97.25%
CHEMBL2581	P07339	Cathepsin D	92.50%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.74%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.93%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.26%	86.33%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.08%	90.93%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.04%	99.23%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	80.10%	96.77%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71454806
• LOTUS: LTS0061366
• wikiData: Q75057345