Cyclocalopin A-15-OL

Details

• Internal ID: a2c11b05-4a34-442c-9dde-853238df34dc
• Taxonomy: Organoheterocyclic compounds > Furopyrans
• IUPAC Name: (2R,3S,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2'-(hydroxymethyl)-2,4-dimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
• InChI: InChI=1S/C15H20O7/c1-7-6-21-13(19)11-9(7)15(14(2,20)22-11)4-3-8(5-16)10(17)12(15)18/h3,7,9,11-12,16,18,20H,4-6H2,1-2H3/t7-,9+,11+,12-,14-,15+/m1/s1
• InChI Key: RTTDYIKRWSMBLP-OINMGDQOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₇
• Molecular Weight: 312.31 g/mol
• Exact Mass: 312.12090297 g/mol
• Topological Polar Surface Area (TPSA): 113.00 Ų
• XlogP: -0.20

Synonyms

• CHEMBL4164779

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	96.75%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	95.30%	96.61%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.78%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.62%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.97%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.67%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.82%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.17%	100.00%
CHEMBL226	P30542	Adenosine A1 receptor	87.19%	95.93%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.74%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.53%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.16%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	81.12%	97.79%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139589909
• LOTUS: LTS0070340
• wikiData: Q105245384