Galanthine

Details

• Internal ID: 2bb93b14-7818-481d-b0b8-acd543b97f32
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives
• IUPAC Name: (1S,14S,15S,16S)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol
• SMILES (Canonical): COC1C=C2CCN3C2C(C1O)C4=CC(=C(C=C4C3)OC)OC
• SMILES (Isomeric): CO[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)C4=CC(=C(C=C4C3)OC)OC
• InChI: InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3/t15-,16-,17+,18+/m0/s1
• InChI Key: VOIMPDXOQJYVDI-WNRNVDISSA-N
• Popularity: 60 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₃NO₄
• Molecular Weight: 317.40 g/mol
• Exact Mass: 317.16270821 g/mol
• Topological Polar Surface Area (TPSA): 51.20 Ų
• XlogP: 0.60

Synonyms

• 517-78-2
• Galanthin
• SCHEMBL7051881
• CHEMBL1172893
• DTXSID10904247
• BDBM50278088
• AKOS040734807
• NCGC00384634-01
• (1S,14S,15S,16S)-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol
• NCGC00384634-01_C18H23NO4_1H-Pyrrolo[3,2,1-de]phenanthridin-1-ol, 2,4,5,7,11b,11c-hexahydro-2,9,10-trimethoxy-, (1S,2S,11bS,11cS)-

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	98.63%	96.09%
CHEMBL4247	Q9UM73	ALK tyrosine kinase receptor	90.59%	96.86%
CHEMBL241	Q14432	Phosphodiesterase 3A	90.45%	92.94%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.77%	95.89%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.77%	91.11%
CHEMBL4208	P20618	Proteasome component C5	88.56%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.47%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.37%	86.33%
CHEMBL2581	P07339	Cathepsin D	86.63%	98.95%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.33%	90.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.57%	85.14%
CHEMBL2535	P11166	Glucose transporter	84.00%	98.75%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.14%	95.89%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	82.27%	91.03%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	81.76%	90.24%

Plants that contains it

• Sternbergia lutea
• Zephyranthes carinata
• Zephyranthes citrina

Cross-Links

• PubChem: 10403528
• LOTUS: LTS0167735
• wikiData: Q82873495