IngredientID 22647

Isoguvacine

C6H9NO2

Relationship Network

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Herb: 5Ingredient: 1Target: 12Links: 17

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 22647
Core Entity Id: 28358
Source Entity Count: 1
Preferred Name: Isoguvacine
Name En
Pubchem Id: 3765
Smiles Canonical: C1CNCC=C1C(=O)O
Molecular Formula: C6H9NO2
Molecular Weight: 127.1430
Inchikey: KRVDMABBKYMBHG-UHFFFAOYSA-N
Inchi: InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
Isomeric Smiles: C1CNCC=C1C(=O)O
Cas Id: 64603-90-3
Ob Score: 72.1720
Mol Logp: -0.0093
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 1
Drug Likeness: 0.5210
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Isoguvacine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Isoguvacine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isoguvacine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isoguvacine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

isoguvacine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HCL

Role

alias

Source

SymMap_v2

Preferred

Name

1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HCL

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride

Role

alias

Source

SymMap_v2

Preferred

Name

1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydr

Role

alias

Source

SymMap_v2

Preferred

Name

1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydr

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,6-tetrahydro-4-pyridinecarboxylicacidhydrochloride

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,6-tetrahydropyridine-4-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,6-tetrahydropyridine-4-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride

Role

alias

Source

SymMap_v2

Preferred

Name

1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride

Role

alias

Source

SymMap_v2

Preferred

Name

1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride

Role

alias

Source

TCMBank

Preferred

Name

4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-

Role

alias

Source

HERB_v2

Preferred

Name

4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-

Role

alias

Source

TCMBank

Preferred

Name

4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-

Role

alias

Source

itcmdb_public

Preferred

Name

4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride

Role

alias

Source

SymMap_v2

Preferred

Name

4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride

Role

alias

Source

TCMBank

Preferred

Name

64603-90-3

Role

alias

Source

HERB_v2

Preferred

Name

64603-90-3

Role

alias

Source

itcmdb_public

Preferred

Name

64603-90-3 (Parent)

Role

alias

Source

TCMBank

Preferred

Name

64603-90-3 (Parent)

Role

alias

Source

SymMap_v2

Preferred

Name

68547-97-7

Role

alias

Source

TCMBank

Preferred

Name

68547-97-7

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L4DMR

Role

alias

Source

TCMBank

Preferred

Name

AC1L4DMR

Role

alias

Source

SymMap_v2

Preferred

Name

AK154352

Role

alias

Source

TCMBank

Preferred

Name

AK154352

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS015847455

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS015847455

Role

alias

Source

TCMBank

Preferred

Name

AKOS025243370

Role

alias

Source

TCMBank

Preferred

Name

AKOS025243370

Role

alias

Source

SymMap_v2

Preferred

Name

AX8223448

Role

alias

Source

TCMBank

Preferred

Name

AX8223448

Role

alias

Source

SymMap_v2

Preferred

Name

B6230

Role

alias

Source

SymMap_v2

Preferred

Name

B6230

Role

alias

Source

TCMBank

Preferred

Name

BN0277

Role

alias

Source

SymMap_v2

Preferred

Name

BN0277

Role

alias

Source

TCMBank

Preferred

Name

BPBio1_000882

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_003318

Role

alias

Source

TCMBank

Preferred

Name

Biomol-NT_000254

Role

alias

Source

TCMBank

Preferred

Name

C13694

Role

alias

Source

TCMBank

Preferred

Name

CCG-221865

Role

alias

Source

TCMBank

Preferred

Name

CCG-221865

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:34799

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:34799

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL39071

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL39071

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL540303

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL540303

Role

alias

Source

SymMap_v2

Preferred

Name

CS-6967

Role

alias

Source

TCMBank

Preferred

Name

CS-6967

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID00218663

Role

alias

Source

TCMBank

Preferred

Name

DTXSID00218663

Role

alias

Source

SymMap_v2

Preferred

Name

DivK1c_000115

Role

alias

Source

TCMBank

Preferred

Name

EU-0100561

Role

alias

Source

SymMap_v2

Preferred

Name

EU-0100561

Role

alias

Source

TCMBank

Preferred

Name

FT-0670465

Role

alias

Source

TCMBank

Preferred

Name

FT-0670465

Role

alias

Source

SymMap_v2

Preferred

Name

G-002

Role

alias

Source

SymMap_v2

Preferred

Name

G-002

Role

alias

Source

TCMBank

Preferred

Name

HY-100810

Role

alias

Source

SymMap_v2

Preferred

Name

HY-100810

Role

alias

Source

TCMBank

Preferred

Name

I02-4338

Role

alias

Source

SymMap_v2

Preferred

Name

I02-4338

Role

alias

Source

TCMBank

Preferred

Name

I0871

Role

alias

Source

TCMBank

Preferred

Name

I0871

Role

alias

Source

SymMap_v2

Preferred

Name

IDI1_000115

Role

alias

Source

TCMBank

Preferred

Name

ISOGUVACINE HYDROCHLORIDE

Role

alias

Source

SymMap_v2

Preferred

Name

Isoguvacine

Role

alias

Source

TCMBank

Preferred

Name

Isoguvacine (hydrochloride)

Role

alias

Source

TCMBank

Preferred

Name

Isoguvacine HCl

Role

alias

Source

SymMap_v2

Preferred

Name

Isoguvacine HCl

Role

alias

Source

TCMBank

Preferred

Name

Isoguvacine hydrochloride, solid

Role

alias

Source

TCMBank

Preferred

Name

Isoguvacine hydrochloride, solid

Role

alias

Source

SymMap_v2

Preferred

Name

KBio1_000115

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002531

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005099

Role

alias

Source

TCMBank

Preferred

Name

KBio2_007667

Role

alias

Source

TCMBank

Preferred

Name

KBio3_002820

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_002540

Role

alias

Source

TCMBank

Preferred

Name

KS-00000AIF

Role

alias

Source

TCMBank

Preferred

Name

KS-00000AIF

Role

alias

Source

SymMap_v2

Preferred

Name

LP00561

Role

alias

Source

TCMBank

Preferred

Name

LP00561

Role

alias

Source

SymMap_v2

Preferred

Name

Lopac-G-002

Role

alias

Source

TCMBank

Preferred

Name

Lopac0_000561

Role

alias

Source

TCMBank

Preferred

Name

MFCD00055192

Role

alias

Source

TCMBank

Preferred

Name

MFCD00055192

Role

alias

Source

SymMap_v2

Preferred

Name

MLS000859962

Role

alias

Source

TCMBank

Preferred

Name

MLS000859962

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-003-983-601

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-003-983-601

Role

alias

Source

TCMBank

Preferred

Name

NCGC00015456-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024509-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024509-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00093946-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00093946-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00093946-02

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00093946-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00093946-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00093946-03

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00261246-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00261246-01

Role

alias

Source

SymMap_v2

Preferred

Name

NINDS_000115

Role

alias

Source

TCMBank

Preferred

Name

SC-49604

Role

alias

Source

TCMBank

Preferred

Name

SC-49604

Role

alias

Source

SymMap_v2

Preferred

Name

SC-49605

Role

alias

Source

TCMBank

Preferred

Name

SC-49605

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL7958625

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL7958625

Role

alias

Source

SymMap_v2

Preferred

Name

SMR000326821

Role

alias

Source

TCMBank

Preferred

Name

SMR000326821

Role

alias

Source

SymMap_v2

Preferred

Name

SPECTRUM1502129

Role

alias

Source

TCMBank

Preferred

Name

SPECTRUM1502129

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000075611

Role

alias

Source

TCMBank

Preferred

Name

SR-01000075611

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000075611-1

Role

alias

Source

TCMBank

Preferred

Name

SR-01000075611-1

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000075611-3

Role

alias

Source

TCMBank

Preferred

Name

SR-01000075611-3

Role

alias

Source

SymMap_v2

Preferred

Name

SUWREQRNTXCCBL-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

SUWREQRNTXCCBL-UHFFFAOYSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

SY012592

Role

alias

Source

TCMBank

Preferred

Name

SY012592

Role

alias

Source

SymMap_v2

Preferred

Name

Spectrum3_001869

Role

alias

Source

TCMBank

Preferred

Name

Spectrum_001974

Role

alias

Source

TCMBank

Preferred

Name

TR-022104

Role

alias

Source

TCMBank

Preferred

Name

TR-022104

Role

alias

Source

SymMap_v2

Preferred

Name

TRA0081918

Role

alias

Source

TCMBank

Preferred

Name

TRA0081918

Role

alias

Source

SymMap_v2

Preferred

Name

Tocris-0235

Role

alias

Source

TCMBank

Preferred

Name

Tox21_500561

Role

alias

Source

TCMBank

Preferred

Name

Tox21_500561

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-YTF580771Y

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-YTF580771Y

Role

alias

Source

HERB_v2

Preferred

Name

YTF580771Y

Role

alias

Source

HERB_v2

Preferred

Name

YTF580771Y

Role

alias

Source

itcmdb_public

Preferred

Name

Z-2044

Role

alias

Source

SymMap_v2

Preferred

Name

Z-2044

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HCL1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydr1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride1,2,3,6-tetrahydro-4-pyridinecarboxylicacidhydrochloride1,2,3,6-tetrahydropyridine-4-carboxylic acid1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride64603-90-364603-90-3 (Parent)68547-97-7AC1L4DMRAK154352AKOS015847455AKOS025243370AX8223448B6230BN0277BPBio1_000882BSPBio_003318Biomol-NT_000254C13694CCG-221865CHEBI:34799CHEMBL39071CHEMBL540303CS-6967DTXSID00218663DivK1c_000115EU-0100561FT-0670465G-002HY-100810I02-4338I0871IDI1_000115ISOGUVACINE HYDROCHLORIDEIsoguvacine (hydrochloride)Isoguvacine HClIsoguvacine hydrochloride, solidKBio1_000115KBio2_002531KBio2_005099KBio2_007667KBio3_002820KBioSS_002540KS-00000AIFLP00561Lopac-G-002Lopac0_000561MFCD00055192MLS000859962MolPort-003-983-601NCGC00015456-01NCGC00024509-01NCGC00024509-03NCGC00093946-01NCGC00093946-02NCGC00093946-03NCGC00261246-01NINDS_000115SC-49604SC-49605SCHEMBL7958625SMR000326821SPECTRUM1502129SR-01000075611SR-01000075611-1SR-01000075611-3SUWREQRNTXCCBL-UHFFFAOYSA-NSY012592Spectrum3_001869Spectrum_001974TR-022104TRA0081918Tocris-0235Tox21_500561UNII-YTF580771YYTF580771YZ-2044

Cross References

Trusted external identifiers retained for this final record.

Cas

64603-90-3

Hit

C0150

Herb

HBIN030788

Tcmid

23242

Tcmsp

MOL005838

Sym Map

SMIT00237

Tcm Id

3424

Pub Chem

3765

Tcmbank

TCMBANKIN008919

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)

Mol Wt

127.143

Cas Id

64603-90-3

Smiles

C1CNCC=C1C(=O)O

Mol Log P

-0.00929999999999992

Version

v1,v2

In Ch Ikey

KRVDMABBKYMBHG-UHFFFAOYSA-N

Ob Score

72.17272.17220972.17220932

Suppress

Num Hdonors

Drug Likeness

0.521

Num Hacceptors

Isomeric Smiles

C1CNCC=C1C(=O)O

Molecule Weight

127.16

Canonical Smiles

C1CNCC=C1C(=O)O

Herb Alias Names

64603-90-31,2,3,6-tetrahydropyridine-4-carboxylic acid1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1,2,3,6-Tetrahydro-4-pyridinecarboxylic acidCHEMBL39071CHEBI:34799YTF580771YUNII-YTF580771Y

Molecular Weight

127.14

Molecular Formula

C6H9NO2

Molecular Formula

C6H9NO2

Num Rotatable Bonds