Curcumanggoside

Details

• Internal ID: 55406ab2-faca-40b9-8fbe-1631aec91e2c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides
• IUPAC Name: 4-[(4aS,6aR,8S,10aR,10bS)-4-hydroxy-7,7,10a-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-yl]-2H-furan-5-one
• SMILES (Canonical): CC1(C2CCC3C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)CC(OC3O)C5=CCOC5=O)C
• SMILES (Isomeric): C[C@]12CC[C@@H](C([C@@H]1CC[C@H]3[C@@H]2CC(OC3O)C4=CCOC4=O)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
• InChI: InChI=1S/C26H40O10/c1-25(2)17-5-4-12-14(10-15(34-23(12)32)13-7-9-33-22(13)31)26(17,3)8-6-18(25)36-24-21(30)20(29)19(28)16(11-27)35-24/h7,12,14-21,23-24,27-30,32H,4-6,8-11H2,1-3H3/t12-,14-,15?,16+,17-,18-,19+,20-,21+,23?,24-,26+/m0/s1
• InChI Key: FPNUJGSJUSZNKB-CUBBGWLLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₄₀O₁₀
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.26214747 g/mol
• Topological Polar Surface Area (TPSA): 155.00 Ų
• XlogP: 1.10

Synonyms

• CHEMBL469828

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	98.50%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.60%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.21%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.77%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.11%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.94%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.47%	100.00%
CHEMBL218	P21554	Cannabinoid CB1 receptor	88.19%	96.61%
CHEMBL226	P30542	Adenosine A1 receptor	87.71%	95.93%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	87.66%	83.57%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.61%	86.33%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	87.51%	96.21%
CHEMBL2996	Q05655	Protein kinase C delta	82.93%	97.79%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.76%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.30%	94.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.90%	92.62%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.33%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.12%	99.17%

Plants that contains it

• Curcuma mangga

Cross-Links

• PubChem: 44559175
• LOTUS: LTS0140379
• wikiData: Q104999291