Bisacremine A

Details

• Internal ID: 5f83c3ad-e804-496f-ae8a-b9e7b2aba2d4
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (1S,2R,4S)-5-[(E)-2-[(2S,5S)-2,5-dimethyl-5-[(E)-2-(4-methylphenyl)ethenyl]oxolan-2-yl]ethenyl]-2-methylcyclohex-5-ene-1,2,4-triol
• InChI: InChI=1S/C24H32O4/c1-17-5-7-18(8-6-17)9-11-22(2)13-14-23(3,28-22)12-10-19-15-21(26)24(4,27)16-20(19)25/h5-12,15,20-21,25-27H,13-14,16H2,1-4H3/b11-9+,12-10+/t20-,21-,22+,23+,24+/m0/s1
• InChI Key: HNOZTTDBTGBFNA-LXQHMWTASA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.23005950 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: 2.40

Synonyms

• CHEMBL3609599

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
CHEMBL1951	P21397	Monoamine oxidase A	96.60%	91.49%
CHEMBL2039	P27338	Monoamine oxidase B	96.60%	92.51%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.56%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	90.33%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.76%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.94%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.25%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.88%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.19%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.91%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.91%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 122187709
• LOTUS: LTS0134813
• wikiData: Q77369526