Saccharothriolide B

Details

• Internal ID: d5b182c6-338d-4edc-9f8b-cac3ef5785c7
• Taxonomy: Benzenoids > Phenols > Benzenediols > Resorcinols
• IUPAC Name: (3R,4R,5S,7R,8R,9R,10S)-10-(3,5-dihydroxyphenyl)-4-hydroxy-8-(2-hydroxyanilino)-3,5,7,9-tetramethyloxecane-2,6-dione
• InChI: InChI=1S/C25H31NO7/c1-12-21(26-19-7-5-6-8-20(19)29)13(2)24(16-9-17(27)11-18(28)10-16)33-25(32)15(4)23(31)14(3)22(12)30/h5-15,21,23-24,26-29,31H,1-4H3/t12-,13-,14-,15-,21+,23-,24+/m1/s1
• InChI Key: PUFJWNRDGMBDGV-PHVYJYCRSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₃₁NO₇
• Molecular Weight: 457.50 g/mol
• Exact Mass: 457.21005233 g/mol
• Topological Polar Surface Area (TPSA): 136.00 Ų
• XlogP: 3.60

Synonyms

• CHEMBL3978463

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	98.96%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.75%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.31%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.71%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	89.64%	94.73%
CHEMBL1951	P21397	Monoamine oxidase A	87.85%	91.49%
CHEMBL2535	P11166	Glucose transporter	86.39%	98.75%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.02%	89.00%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	83.14%	85.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.36%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.18%	86.33%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.41%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 134151810
• LOTUS: LTS0097348
• wikiData: Q77518237