Arthropsolide D

Details

• Internal ID: ca7df194-c70f-4ef3-a20c-94f4642b3569
• Taxonomy: Organoheterocyclic compounds > Tetrahydrofurans
• IUPAC Name: (4R,5S,6R,7R,10R)-4,6,7-trihydroxy-3-methylidene-10-[(E)-prop-1-enyl]-2-oxaspiro[4.5]dec-8-en-1-one
• SMILES (Canonical): CC=CC1C=CC(C(C12C(C(=C)OC2=O)O)O)O
• SMILES (Isomeric): C/C=C/[C@@H]1C=C[C@H]([C@@H]([C@]12[C@H](C(=C)OC2=O)O)O)O
• InChI: InChI=1S/C13H16O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-6,8-11,14-16H,2H2,1H3/b4-3+/t8-,9-,10+,11+,13-/m1/s1
• InChI Key: GTLNIQXATYMDNB-MRRYNZKQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₆O₅
• Molecular Weight: 252.26 g/mol
• Exact Mass: 252.09977361 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: -0.40

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	89.56%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.93%	91.11%
CHEMBL2581	P07339	Cathepsin D	88.43%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.84%	89.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	86.96%	89.34%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.97%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.04%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.00%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584737
• LOTUS: LTS0220794
• wikiData: Q77374924