X8Q

Psilocybin

Created:	2023-10-25
Last modified:	2024-11-11

Find Related PDB Entry
1 entries where X8Q is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	10

2D diagram of X8Q

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	Psilocybin
Synonyms	[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Formula	C₁₂ H₁₇ N₂ O₄ P
Molecular Weight	284.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
InChI	InChI	1.06	InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
InChIKey	InChI	1.06	QVDSEJDULKLHCG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11664
Name	Psilocybin
Groups	investigational
Description	Psilocybin has been investigated for the treatment of Anxiety and Stage IV Melanoma. In November, 2019, it was granted Breakthrough Therapy status by the FDA.
Synonyms	Psilocybin Psilocybinum Psilocibina Psilocybine
Categories	Alkaloids Central Nervous System Agents Central Nervous System Depressants Hallucinogens Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Psychotropic Drugs Tryptamines
CAS number	520-52-5

Related Resource References

Resource Name	Reference
Pharos	CHEMBL194378
PubChem	10624, 138543650
ChEMBL	CHEMBL194378
ChEBI	CHEBI:8614

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.