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Norbaeocystin (biosynthetic origin)

CAT: 0926-XN184556-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-XN184556-01Size:1 mg
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CAS Number
21420-59-7
Synonyms
[3- (2-aminoethyl) -1H-indol-4-yl] dihydrogen phosphate
Smiles
C1=CC2=C (C (=C1) OP (=O) (O) O) C (=CN2) CCN
Molecular Formula
C10H13N2O4P
Molecular Weight
256.2 g/mol
Controlled
No

Chemical Information

Norbaeocystin

Norbaeocystin is a tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4. It has a role as a hallucinogen and a fungal metabolite. It is an organic phosphate, a tryptamine alkaloid and a primary amino compound. It is functionally related to a tryptamine. It is a conjugate acid of a norbaeocystin(1-).

CAS Number21420-59-7
PubChem CID9795063
IUPAC Name[3-(2-aminoethyl)-1H-indol-4-yl] dihydrogen phosphate
Molecular FormulaC10H13N2O4P
Molecular Weight256.19
XLogP-2.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity309
SMILES
C1=CC2=C(C(=C1)OP(=O)(O)O)C(=CN2)CCN
InChI
InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)
InChIKey
IKQGYCWFBVEAKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Norbaeocystin
CAS: 21420-59-7
CID: 9795063
Formula: C10H13N2O4P
MW: 256.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.19
XLogP3-2.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass256.06129390
Monoisotopic Mass256.06129390
Topological Polar Surface Area109 Ų
Heavy Atom Count17
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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