Moudanpioside F

Details

• Internal ID: ecb254c6-d7be-4d90-9b86-59aed855e651
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
• IUPAC Name: (1R,5S,6R)-6-(hydroxymethyl)-4,6-dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybicyclo[3.1.1]hept-3-en-2-one
• SMILES (Canonical): CC1=CC(=O)C2CC1(C2(C)CO)OC3C(C(C(C(O3)CO)O)O)O
• SMILES (Isomeric): CC1=CC(=O)[C@@H]2C[C@]1([C@@]2(C)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• InChI: InChI=1S/C16H24O8/c1-7-3-9(19)8-4-16(7,15(8,2)6-18)24-14-13(22)12(21)11(20)10(5-17)23-14/h3,8,10-14,17-18,20-22H,4-6H2,1-2H3/t8-,10+,11+,12-,13+,14-,15-,16-/m0/s1
• InChI Key: HDRABVWFLVVWRI-VCRUDBCKSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₄O₈
• Molecular Weight: 344.36 g/mol
• Exact Mass: 344.14711772 g/mol
• Topological Polar Surface Area (TPSA): 137.00 Ų
• XlogP: -2.30

Synonyms

• Mudanpioside F
• CHEMBL2205293

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	97.22%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.84%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.95%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.30%	95.56%
CHEMBL3714130	P46095	G-protein coupled receptor 6	89.69%	97.36%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.33%	86.33%
CHEMBL2581	P07339	Cathepsin D	86.76%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.41%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.17%	89.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.00%	100.00%
CHEMBL3401	O75469	Pregnane X receptor	82.69%	94.73%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.52%	95.89%
CHEMBL4208	P20618	Proteasome component C5	81.45%	90.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.34%	86.92%
CHEMBL1937	Q92769	Histone deacetylase 2	80.71%	94.75%
CHEMBL1951	P21397	Monoamine oxidase A	80.17%	91.49%

Plants that contains it

• Paeonia anomala subsp. veitchii
• Paeonia obovata
• Paeonia suffruticosa

Cross-Links

• PubChem: 21631108
• NPASS: NPC151516
• ChEMBL: CHEMBL2205293
• LOTUS: LTS0134788
• wikiData: Q105026492