Alterporriol N

Details

• Internal ID: c8f71e7d-5126-4d06-ac3a-5fe02caceb4d
• Taxonomy: Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
• IUPAC Name: (2R,3R,4R)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-5-[(6R,7R,8R)-4,6,7,8-tetrahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl]-2,4-dihydro-1H-anthracene-9,10-dione
• SMILES (Canonical): CC1(C(CC2=C(C1O)C(=O)C3=C(C2=O)C(=CC(=C3C4=C(C=C(C5=C4C(=O)C6=C(C5=O)CC(C(C6O)(C)O)O)O)OC)OC)O)O)O
• SMILES (Isomeric): C[C@]1([C@@H](CC2=C([C@H]1O)C(=O)C3=C(C2=O)C(=CC(=C3C4=C(C=C(C5=C4C(=O)C6=C(C5=O)C[C@H]([C@@]([C@@H]6O)(C)O)O)O)OC)OC)O)O)O
• InChI: InChI=1S/C32H30O14/c1-31(43)15(35)5-9-17(29(31)41)27(39)23-19(25(9)37)11(33)7-13(45-3)21(23)22-14(46-4)8-12(34)20-24(22)28(40)18-10(26(20)38)6-16(36)32(2,44)30(18)42/h7-8,15-16,29-30,33-36,41-44H,5-6H2,1-4H3/t15-,16-,29-,30-,31-,32-/m1/s1
• InChI Key: HPRQIJBYHJQTCF-WQQAWHSESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₃₀O₁₄
• Molecular Weight: 638.60 g/mol
• Exact Mass: 638.16355563 g/mol
• Topological Polar Surface Area (TPSA): 249.00 Ų
• XlogP: -0.80

Synonyms

• CHEMBL3335131
• SCHEMBL23522410

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	98.37%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.20%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.79%	95.56%
CHEMBL2581	P07339	Cathepsin D	94.68%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	92.51%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.34%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.66%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.29%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.26%	92.94%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.29%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.95%	85.14%
CHEMBL4208	P20618	Proteasome component C5	84.49%	90.00%
CHEMBL4040	P28482	MAP kinase ERK2	83.15%	83.82%
CHEMBL2535	P11166	Glucose transporter	82.89%	98.75%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.28%	97.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.86%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.74%	100.00%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	81.35%	92.88%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.14%	93.03%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.14%	99.23%

Plants that contains it

• Cryptomeria japonica
• Juniperus communis
• Pinus elliottii
• Pinus mugo

Cross-Links

• PubChem: 57332378
• LOTUS: LTS0096545
• wikiData: Q105233183