Dihydrolycorine

Details

• Internal ID: be6ac5a9-bb2d-4a65-8fc9-6894d8cf87db
• Taxonomy: Alkaloids and derivatives > Amaryllidaceae alkaloids > Lycorine-type amaryllidaceae alkaloids
• IUPAC Name: (1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol
• SMILES (Canonical): C1CN2CC3=CC4=C(C=C3C5C2C1CC(C5O)O)OCO4
• SMILES (Isomeric): C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2[C@H]1C[C@@H]([C@H]5O)O)OCO4
• InChI: InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11+,14+,15-,16-/m1/s1
• InChI Key: VJILFEGOWCJNIK-MGRBZGILSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₉NO₄
• Molecular Weight: 289.33 g/mol
• Exact Mass: 289.13140809 g/mol
• Topological Polar Surface Area (TPSA): 62.20 Ų
• XlogP: 0.70

Synonyms

• 6271-21-2
• Z7N4S72301
• (1S,2S,3aR,12bS,12cR)-2,3,3a,4,5,7,12b,12c-octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
• Galanthan-1,2-diol, 9,10-(methylenebis(oxy))-, (1alpha,2beta)-
• UNII-Z7N4S72301
• .ALPHA.-DIHYDROLYCORINE
• CHEMBL583061
• DIHYDROLYCORINE, (+)-
• SCHEMBL21578274
• DTXSID701346488
• HY-N2403
• MFCD09953807
• s3285
• AKOS030573518
• AC-34198
• MS-24132
• CS-0022605
• Q-100723
• Q27295119
• (1S,15R,17S,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol
• 1H-(1,3)DIOXOLO(4,5-J)PYRROLO(3,2,1-DE)PHENANTHRIDINE-1,2-DIOL, 2,3,3A,4,5,7,12B,12C-OCTAHYDRO-, (1S,2S,3AR,12BS,12CR)-

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	94.71%	91.11%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	94.67%	96.77%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	93.88%	90.24%
CHEMBL5608	Q16288	NT-3 growth factor receptor	92.20%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.00%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.14%	89.00%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	88.27%	83.57%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.83%	100.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	87.48%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.41%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.29%	97.25%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	83.81%	93.04%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.27%	90.71%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	81.20%	81.29%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.83%	89.62%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	80.74%	98.46%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.07%	97.33%

Plants that contains it

• Galanthus trojanus
• Lycoris radiata
• Pancratium maritimum

Cross-Links

• PubChem: 11876135
• LOTUS: LTS0230725
• wikiData: Q27295119