1,2-Dihydroxymintlactone

Details

• Internal ID: 2a072534-e507-42c2-845d-7200a1a9e502
• Taxonomy: Organoheterocyclic compounds > Benzofurans
• IUPAC Name: (6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
• SMILES (Canonical): CC1=C2CCC(C(C2OC1=O)O)(C)O
• SMILES (Isomeric): CC1=C2CC[C@]([C@@H]([C@H]2OC1=O)O)(C)O
• InChI: InChI=1S/C10H14O4/c1-5-6-3-4-10(2,13)8(11)7(6)14-9(5)12/h7-8,11,13H,3-4H2,1-2H3/t7-,8+,10-/m0/s1
• InChI Key: DIOYTQUSBRSEBD-XKSSXDPKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.22 g/mol
• Exact Mass: 198.08920892 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: -0.50

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.92%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.16%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.82%	99.23%
CHEMBL2581	P07339	Cathepsin D	84.54%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.21%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.06%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.19%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.09%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.68%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.31%	97.25%

Plants that contains it

• Daphne oleoides
• Stellera chamaejasme
• Wikstroemia sikokiana

Cross-Links

• PubChem: 131180722
• LOTUS: LTS0167655
• wikiData: Q104968236