Linderadin

Details

• Internal ID: 8b6d3afc-a129-4f6b-9fb6-2eb104e72d57
• Taxonomy: Organoheterocyclic compounds > Dioxanes > 1,4-dioxanes
• IUPAC Name: (1S,4R,6S,13S,14R)-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.01,14.04,6.08,12]heptadeca-8(12),10-dien-16-one
• SMILES (Canonical): CC1=COC2=C1C3C4C(O4)(CCC5C(C2)(O5)C)C(=O)O3
• SMILES (Isomeric): CC1=COC2=C1[C@H]3[C@@H]4[C@@](O4)(CC[C@@H]5[C@](C2)(O5)C)C(=O)O3
• InChI: InChI=1S/C15H16O5/c1-7-6-17-8-5-14(2)9(19-14)3-4-15-12(20-15)11(10(7)8)18-13(15)16/h6,9,11-12H,3-5H2,1-2H3/t9-,11+,12-,14+,15+/m1/s1
• InChI Key: XADIBULSXQTZTI-OGGHUHLFSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.28 g/mol
• Exact Mass: 276.09977361 g/mol
• Topological Polar Surface Area (TPSA): 64.50 Ų
• XlogP: 1.20

Synonyms

• CHEBI:69076
• Q27137416

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	94.08%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.46%	97.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	87.33%	93.04%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	87.19%	95.34%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.91%	89.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	86.74%	97.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.70%	99.23%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	85.36%	93.03%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.93%	97.25%
CHEMBL5805	Q9NR97	Toll-like receptor 8	84.40%	96.25%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.51%	90.93%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.55%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.36%	91.11%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.23%	96.21%

Plants that contains it

• Neolitsea hiiranensis
• Neolitsea villosa

Cross-Links

• PubChem: 70698069
• LOTUS: LTS0111067
• wikiData: Q27137416