Hedyosumin C

Details

• Internal ID: d8545334-7867-4310-b9e7-60d115c8ce34
• Taxonomy: Organoheterocyclic compounds > Furofurans
• IUPAC Name: (1S,5S,7R,8R,10S,13S)-5-hydroxy-4,8,13-trimethyl-11,14-dioxatetracyclo[6.5.1.01,10.03,7]tetradec-3-en-12-one
• InChI: InChI=1S/C15H20O4/c1-7-9-5-15-8(2)13(17)18-12(15)6-14(3,19-15)10(9)4-11(7)16/h8,10-12,16H,4-6H2,1-3H3/t8-,10-,11+,12+,14-,15+/m1/s1
• InChI Key: OWXVXIMYAXIGPA-HGIRQSAYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.13615911 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 0.30

Synonyms

• (1S,5S,7R,8R,10S,13S)-5-Hydroxy-4,8,13-trimethyl-11,14-dioxatetracyclo[6.5.1.01,10.03,7]tetradec-3-en-12-one

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.09%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.35%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.52%	97.09%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	86.14%	86.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.44%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.93%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.81%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.70%	95.56%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.44%	93.04%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.78%	96.09%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	80.60%	90.93%

Plants that contains it

• Hedyosmum orientale

Cross-Links

• PubChem: 25019243
• LOTUS: LTS0072017
• wikiData: Q105202391