CID 36689482

Details

• Internal ID: 63baa84b-6f5a-4cbe-abe6-28131449c246
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
• IUPAC Name: (6aS,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
• InChI: InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16-/m1/s1
• InChI Key: UWHUTZOCTZJUKC-HZPDHXFCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.28 g/mol
• Exact Mass: 286.08412354 g/mol
• Topological Polar Surface Area (TPSA): 90.20 Ų
• XlogP: 1.50

Synonyms

• 474-07-7

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	99.42%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.04%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.76%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.56%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.23%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.15%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.30%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.69%	95.89%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	84.67%	93.40%
CHEMBL6175	Q9H3R0	Lysine-specific demethylase 4C	84.28%	96.69%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	83.81%	94.80%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.58%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.14%	100.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.22%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 36689482
• LOTUS: LTS0239648
• wikiData: Q105280365