altersolanol L

Details

• Internal ID: c009e655-9fd5-4598-9696-bd43f1d677fe
• Taxonomy: Benzenoids > Anthracenes
• IUPAC Name: (2R,3R,4R,4aS,9aS,10R)-2,3,4,8,10-pentahydroxy-6-methoxy-3-methyl-1,2,4,4a,9a,10-hexahydroanthracen-9-one
• SMILES (Canonical): CC1(C(CC2C(C1O)C(C3=C(C2=O)C(=CC(=C3)OC)O)O)O)O
• SMILES (Isomeric): C[C@]1([C@@H](C[C@H]2[C@H]([C@H]1O)[C@H](C3=C(C2=O)C(=CC(=C3)OC)O)O)O)O
• InChI: InChI=1S/C16H20O7/c1-16(22)10(18)5-8-12(15(16)21)14(20)7-3-6(23-2)4-9(17)11(7)13(8)19/h3-4,8,10,12,14-15,17-18,20-22H,5H2,1-2H3/t8-,10+,12-,14-,15+,16+/m0/s1
• InChI Key: NDGIDBHYSCKXJM-CBDPYCFPSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₇
• Molecular Weight: 324.32 g/mol
• Exact Mass: 324.12090297 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: -0.50

Synonyms

• SCHEMBL904385
• CHEMBL551302

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	98.64%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.65%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.07%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.86%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.22%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.47%	97.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.40%	99.15%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	89.13%	91.07%
CHEMBL4208	P20618	Proteasome component C5	88.04%	90.00%
CHEMBL340	P08684	Cytochrome P450 3A4	87.63%	91.19%
CHEMBL2581	P07339	Cathepsin D	86.95%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.10%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.92%	95.89%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.46%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.54%	94.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.14%	92.94%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.65%	99.23%

Plants that contains it

• Mentha pulegium

Cross-Links

• PubChem: 42639666
• LOTUS: LTS0161441
• wikiData: Q77380507