Chemical Components in the PDB

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GNT : Summary

Code

GNT

One-letter code

X

Molecule name

(-)-GALANTHAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 galanthamine

Formula

C17 H21 N O3

Formal charge

0

Molecular weight

287.354 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)C
SMILES CACTVS 3.341 COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c24
SMILES OpenEye OEToolkits 1.5.0 CN1CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O
Canonical SMILES CACTVS 3.341 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Canonical SMILES OpenEye OEToolkits 1.5.0 C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O

IUPAC InChI

InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

IUPAC InChI key

ASUTZQLVASHGKV-JDFRZJQESA-N
GNT

wwPDB Information

Atom count

42 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned