Molecule

4-Hydroxytryptamine; 2'-N-Me, O-phosphate

AlkaPlorer ID: AK010339

Synonym: Baeocystine

IUPAC Name: [3-[2-(methylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate

SMILES: CNCCC1=CNC2=CC=CC(OP(=O)(O)O)=C12

InChI: InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)

InChIKey: WTPBXXCVZZZXKR-UHFFFAOYSA-N

PubChem CID: 161359

CAS: 21420-58-6

LOTUS: LTS0012294

COCONUT: CNP0112395

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NPAtlas: NPA003384

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Psilocybe baeocystis	Psilocybe	Strophariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
None	Psilocybe	Strophariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Molecule Weight: 270.225

TPSA？: 94.58

MolLogP？: 1.4012999999999998

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Mus musculus	Activity	None	None	10.1021/acs.jnatprod.9b01061

AKRT ID	Reaction	Reaction Link ID
AKRT010753	CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12.C[33S]>>CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12	None
AKRT010754	CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12.C[SAH]>>CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12	RXN-19092
AKRT012648	C[33S].NCCc1c[nH]c2cccc(OP(=O)(O)O)c12>>CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12	None
AKRT014562	C[SAH].CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12>>CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12	enzymemap_27178
AKRT014655	C[SAH].NCCc1c[nH]c2cccc(OP(=O)(O)O)c12>>CNCCc1c[nH]c2cccc(OP(=O)(O)O)c12	RXN-19091