Zosteropenilline C

Details

• Internal ID: ab68eb6a-b648-4827-b30a-5a9a8fd8d136
• Taxonomy: Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
• IUPAC Name: (4aS,6aR,8R,10aS,10bR)-8-hydroxy-4a,8-dimethyl-2,3,6a,7,9,10,10a,10b-octahydrobenzo[f]chromen-1-one
• SMILES (Canonical): CC1(CCC2C(C1)C=CC3(C2C(=O)CCO3)C)O
• SMILES (Isomeric): C[C@]1(CC[C@H]2[C@H](C1)C=C[C@]3([C@@H]2C(=O)CCO3)C)O
• InChI: InChI=1S/C15H22O3/c1-14(17)6-4-11-10(9-14)3-7-15(2)13(11)12(16)5-8-18-15/h3,7,10-11,13,17H,4-6,8-9H2,1-2H3/t10-,11-,13-,14+,15-/m0/s1
• InChI Key: YBLKAJOTCRDLGS-RCZQDCHWSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33 g/mol
• Exact Mass: 250.15689456 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 0.90

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.48%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.85%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.75%	97.25%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.48%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.87%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.00%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.00%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	86.21%	94.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.12%	97.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.96%	93.04%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.39%	92.94%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.78%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590439
• LOTUS: LTS0108155
• wikiData: Q105345911