Harzianoic acid B

Details

• Internal ID: 2f5fbf42-bb95-4369-afe5-d9d7724bfd93
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
• IUPAC Name: (1S,2S,3R)-3-[(1S)-1-carboxy-1-hydroxyethyl]-2-(4-carboxypent-3-enyl)-2-methylcyclobutane-1-carboxylic acid
• InChI: InChI=1S/C15H22O7/c1-8(11(16)17)5-4-6-14(2)9(12(18)19)7-10(14)15(3,22)13(20)21/h5,9-10,22H,4,6-7H2,1-3H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10-,14-,15+/m1/s1
• InChI Key: QYTRYTIHFJMWRS-IDMWTJEOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₇
• Molecular Weight: 314.33 g/mol
• Exact Mass: 314.13655304 g/mol
• Topological Polar Surface Area (TPSA): 132.00 Ų
• XlogP: 1.10

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:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1075180	P60033	CD81 antigen	66.5 nM	Kd	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.47%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.22%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.61%	94.45%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	86.27%	93.00%
CHEMBL284	P27487	Dipeptidyl peptidase IV	85.46%	95.69%
CHEMBL2581	P07339	Cathepsin D	83.74%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.66%	89.34%
CHEMBL218	P21554	Cannabinoid CB1 receptor	82.46%	96.61%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.87%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	81.56%	97.79%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682325
• LOTUS: LTS0108695
• wikiData: Q105230603