Trans-3,4-Dihydroxy-3,4-dihydro-anofinic acid

Details

• Internal ID: a302980c-cb39-4cdb-ac62-b320b0ddb50c
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans
• IUPAC Name: (3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid
• InChI: InChI=1S/C12H14O5/c1-12(2)10(14)9(13)7-5-6(11(15)16)3-4-8(7)17-12/h3-5,9-10,13-14H,1-2H3,(H,15,16)/t9-,10+/m1/s1
• InChI Key: ZZKTVVTWOFEGLU-ZJUUUORDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄O₅
• Molecular Weight: 238.24 g/mol
• Exact Mass: 238.08412354 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 0.30

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.06%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.46%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.98%	96.09%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	87.94%	87.67%
CHEMBL2581	P07339	Cathepsin D	85.10%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.07%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.88%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.57%	89.00%
CHEMBL4208	P20618	Proteasome component C5	81.01%	90.00%
CHEMBL1811	P34995	Prostanoid EP1 receptor	80.49%	95.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14704563
• LOTUS: LTS0101889
• wikiData: Q77574319