Narchinol A

Details

• Internal ID: 64878835-3bee-4aea-b52b-6d4aec7b7768
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
• IUPAC Name: (4R,4aS,5R)-4-hydroxy-4a,5-dimethyl-5,6-dihydro-4H-naphthalene-1,7-dione
• SMILES (Canonical): CC1CC(=O)C=C2C1(C(C=CC2=O)O)C
• SMILES (Isomeric): C[C@@H]1CC(=O)C=C2[C@]1([C@@H](C=CC2=O)O)C
• InChI: InChI=1S/C12H14O3/c1-7-5-8(13)6-9-10(14)3-4-11(15)12(7,9)2/h3-4,6-7,11,15H,5H2,1-2H3/t7-,11-,12+/m1/s1
• InChI Key: OJECHLISLNGTRS-HFKOZYHYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.24 g/mol
• Exact Mass: 206.094294304 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 0.60

Synonyms

• 38226-98-1

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
CHEMBL2581	P07339	Cathepsin D	95.16%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.92%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.68%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.62%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.02%	100.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.02%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.69%	95.56%
CHEMBL1871	P10275	Androgen Receptor	80.08%	96.43%

Plants that contains it

• Humulus scandens
• Kopsia flavida
• Ribes sanguineum
• Stachys chinensis

Cross-Links

• PubChem: 101316814
• NPASS: NPC116467