Cryptocaryanone A

Details

• Internal ID: 0086fffb-d599-449c-8b04-f15964675e69
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
• IUPAC Name: (3aS,7R,9bR)-7-phenyl-3a,7,8,9b-tetrahydro-1H-furo[3,2-f]chromene-2,9-dione
• SMILES (Canonical): C1C2C(C=CC3=C2C(=O)CC(O3)C4=CC=CC=C4)OC1=O
• SMILES (Isomeric): C1[C@H]2[C@H](C=CC3=C2C(=O)C[C@@H](O3)C4=CC=CC=C4)OC1=O
• InChI: InChI=1S/C17H14O4/c18-12-9-15(10-4-2-1-3-5-10)20-14-7-6-13-11(17(12)14)8-16(19)21-13/h1-7,11,13,15H,8-9H2/t11-,13-,15+/m0/s1
• InChI Key: VISHTIMCJNWYLP-CORIIIEPSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₄
• Molecular Weight: 282.29 g/mol
• Exact Mass: 282.08920892 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 1.60

Synonyms

• CHEMBL1223795

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	93.37%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.37%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.32%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.10%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.63%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.79%	99.23%
CHEMBL221	P23219	Cyclooxygenase-1	84.84%	90.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.41%	85.14%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.83%	93.56%

Plants that contains it

• Andira surinamensis
• Aralia hispida
• Baeckea frutescens
• Balanophora polyandra
• Boeberastrum anthemidifolium
• Chenopodiastrum murale
• Chenopodium quinoa
• Citrus medica
• Coprosma foetidissima
• Cryptocarya chinensis
• Davidsonia pruriens
• Echinochloa crus-galli
• Eriocephalus kingesii
• Geranium collinum
• Girgensohnia oppositiflora
• Harpullia cupanioides
• Isodon eriocalyx
• Lilium pomponium
• Lychnophora pinaster
• Marrubium parviflorum
• Microglossa pyrifolia
• Parthenium confertum
• Polygonatum orientale
• Psathyrotes ramosissima
• Scleropyrum pentandrum
• Selliguea hastata
• Trifolium diffusum
• Veronica stricta
• Youngia japonica
• Zanthoxylum acuminatum subsp. juniperinum

Cross-Links

• PubChem: 10356404
• NPASS: NPC190298
• ChEMBL: CHEMBL1223795
• LOTUS: LTS0130210
• wikiData: Q105286989