Grycoerysodine

Details

• Internal ID: 7615090b-4527-40c4-aa06-07e6bcab7763
• Taxonomy: Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC5C(C(C(C(O5)CO)O)O)O)C=C1
• SMILES (Isomeric): CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C1
• InChI: InChI=1S/C24H31NO8/c1-30-15-4-3-14-6-8-25-7-5-13-9-18(17(31-2)10-16(13)24(14,25)11-15)32-23-22(29)21(28)20(27)19(12-26)33-23/h3-4,6,9-10,15,19-23,26-29H,5,7-8,11-12H2,1-2H3/t15-,19+,20+,21-,22+,23+,24-/m0/s1
• InChI Key: LDKVUIURMJHFPP-VGNMVZQISA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₁NO₈
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.20496695 g/mol
• Topological Polar Surface Area (TPSA): 121.00 Ų
• XlogP: 0.00

Synonyms

• CHEMBL464248

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.50%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	96.16%	92.94%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.90%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.49%	85.14%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.65%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.28%	94.00%
CHEMBL2581	P07339	Cathepsin D	90.19%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.84%	86.33%
CHEMBL4208	P20618	Proteasome component C5	88.24%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.76%	97.09%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.96%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.60%	94.45%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	83.33%	91.03%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	83.27%	95.83%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.51%	92.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.43%	95.56%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.25%	97.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.73%	100.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.56%	89.62%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	81.38%	97.33%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	81.23%	90.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.21%	99.17%

Plants that contains it

• Erythrina latissima
• Erythrina lysistemon
• Erythrina senegalensis
• Erythrina velutina

Cross-Links

• PubChem: 44570487
• LOTUS: LTS0118169
• wikiData: Q104398734