deacetylvismione H

Details

• Internal ID: c3e094b2-bac1-4de8-a784-bc0710cf8e0f
• Taxonomy: Benzenoids > Anthracenes
• IUPAC Name: 3,8,9-trihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-2,4-dihydroanthracen-1-one
• SMILES (Canonical): CC(=CCOC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)C
• SMILES (Isomeric): CC(=CCOC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)C
• InChI: InChI=1S/C20H22O5/c1-11(2)4-5-25-14-7-12-6-13-9-20(3,24)10-16(22)18(13)19(23)17(12)15(21)8-14/h4,6-8,21,23-24H,5,9-10H2,1-3H3
• InChI Key: PAHWTMPJUWLVGJ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₅
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.14672380 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 3.80

Synonyms

• CHEMBL467619
• SCHEMBL16227080

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	99.68%	91.11%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	97.58%	92.68%
CHEMBL1937	Q92769	Histone deacetylase 2	95.95%	94.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.15%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.29%	98.95%
CHEMBL4208	P20618	Proteasome component C5	94.16%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.60%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.19%	99.15%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	89.52%	89.34%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.27%	94.00%
CHEMBL1951	P21397	Monoamine oxidase A	88.77%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.25%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.12%	85.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.01%	99.17%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	86.97%	93.10%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.58%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.71%	95.56%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.34%	91.07%
CHEMBL3401	O75469	Pregnane X receptor	83.34%	94.73%
CHEMBL240	Q12809	HERG	81.14%	89.76%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.05%	95.89%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	80.94%	80.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.33%	93.99%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.21%	91.71%

Plants that contains it

• Psorospermum tenuifolium
• Vismia baccifera
• Vismia jefensis

Cross-Links

• PubChem: 13940837
• LOTUS: LTS0016844
• wikiData: Q105204533