IngredientID 30680

Proline*

C5H9NO2

Relationship Network

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Herb: 1Ingredient: 1Meta-analysis: 2Target: 12Links: 15

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 30680
Core Entity Id: 37282
Source Entity Count: 1
Preferred Name: Proline*
Name En
Pubchem Id: 40418720
Smiles Canonical: CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C
Molecular Formula: C5H9NO2
Molecular Weight: 115.1320
Inchikey: ZEQLLMOXFVKKCN-CQSZACIVSA-N
Inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
Isomeric Smiles: C1C[C@@H](NC1)C(=O)O
Cas Id: 7005-20-1
Ob Score: 86.4590
Mol Logp: -0.1770
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 1
Drug Likeness: 0.4980
Polar Surface Area: 84.9000
Molecular Volume
Alogp

Names

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

Name

D-Prolin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

D-Prolin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

D-prolin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

D-prolin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Proline

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Proline

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Proline*

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Proline*

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Occurs in many plants

Role

TCM_name2

Source

TCMBank

Preferred

Name

(-)-2-Pyrrolidinecarboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2R)-2-pyrrolidinecarboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2R)-proline

Role

alias

Source

TCMBank

Preferred

Name

(2R)-pyrrolidine-2-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(2R)-pyrrolidine-2-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(2R)-pyrrolidine-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(L)-PROLINE

Role

alias

Source

TCMBank

Preferred

Name

(R)-pyrrolidine-2-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(R)-pyrrolidine-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(R)-pyrrolidine-2-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(S)-2-Pyrrolidinecarboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

344-25-2

Role

alias

Source

HERB_v2

Preferred

Name

344-25-2

Role

alias

Source

itcmdb_public

Preferred

Name

7005-20-1

Role

alias

Source

TCMBank

Preferred

Name

81705_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

858919_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

AI3-26710

Role

alias

Source

TCMBank

Preferred

Name

C00763

Role

alias

Source

TCMBank

Preferred

Name

CB 1707

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16313

Role

alias

Source

TCMBank

Preferred

Name

D-(+)-Proline

Role

alias

Source

itcmdb_public

Preferred

Name

D-Pro

Role

alias

Source

HERB_v2

Preferred

Name

D-Pro

Role

alias

Source

itcmdb_public

Preferred

Name

D-proline

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 205-702-2

Role

alias

Source

TCMBank

Preferred

Name

EINECS 206-452-7

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 3319

Role

alias

Source

TCMBank

Preferred

Name

FEMA Number 3319

Role

alias

Source

TCMBank

Preferred

Name

H-D-Pro-OH

Role

alias

Source

HERB_v2

Preferred

Name

H-D-Pro-OH

Role

alias

Source

itcmdb_public

Preferred

Name

HSDB 1210

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8

Role

alias

Source

TCMBank

Preferred

Name

L-Pyrrolidine-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

L-alpha-Pyrrolidinecarboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

MFCD00064317

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00064317

Role

alias

Source

HERB_v2

Preferred

Name

NCGC00163339-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00163339-02

Role

alias

Source

TCMBank

Preferred

Name

NCI97923

Role

alias

Source

TCMBank

Preferred

Name

NCIStruc1_001918

Role

alias

Source

TCMBank

Preferred

Name

NCIStruc2_000132

Role

alias

Source

TCMBank

Preferred

Name

NSC 46703

Role

alias

Source

TCMBank

Preferred

Name

PRO (IUPAC abbreviation)

Role

alias

Source

TCMBank

Preferred

Name

PROLINE (L)

Role

alias

Source

TCMBank

Preferred

Name

Prolina [Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Proline (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Proline [USAN:INN]

Role

alias

Source

TCMBank

Preferred

Name

Prolinum [Latin]

Role

alias

Source

TCMBank

Preferred

Name

R-Proline

Role

alias

Source

HERB_v2

Preferred

Name

R-Proline

Role

alias

Source

itcmdb_public

Preferred

Name

SBB006712

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

D-ProlinProlineOccurs in many plants(-)-2-Pyrrolidinecarboxylic acid(2R)-2-pyrrolidinecarboxylic acid(2R)-proline(2R)-pyrrolidine-2-carboxylic acid(L)-PROLINE(R)-pyrrolidine-2-carboxylic acid(S)-2-Pyrrolidinecarboxylic acid344-25-27005-20-181705_FLUKA858919_ALDRICHAI3-26710C00763CB 1707CHEBI:16313D-(+)-ProlineD-ProD-prolineEINECS 205-702-2EINECS 206-452-7FEMA No. 3319FEMA Number 3319H-D-Pro-OHHSDB 1210InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8L-Pyrrolidine-2-carboxylic acidL-alpha-Pyrrolidinecarboxylic acidMFCD00064317NCGC00163339-01NCGC00163339-02NCI97923NCIStruc1_001918NCIStruc2_000132NSC 46703PRO (IUPAC abbreviation)PROLINE (L)Prolina [Spanish]Proline (VAN)Proline [USAN:INN]Prolinum [Latin]R-ProlineSBB006712

Cross References

Trusted external identifiers retained for this final record.

Cas

7005-20-1

Herb

HBIN024454HBIN040810

Tcmsp

MOL010854

Sym Map

SMIT11831

Tcm Id

24963

Pub Chem

404187206148988

Tcmbank

TCMBANKIN003077TCMBANKIN009126TCMBANKIN045453

Itcmdb Generated

ITX-INGREDIENT-FD375C4D1E17

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredientsOther ingredients,Metabolic ingredients

In Ch I

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

Mol Wt

115.132

Cas Id

7005-20-1

Smiles

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C

Mol Log P

-0.1770000000000003

Version

v1,v2

In Ch Ikey

ONIBWKKTOPOVIA-SCSAIBSYSA-N

Ob Score

86.4589585786.45895986.459

Suppress

Tcm Name2

Occurs in many plants

Mol2 Path

/TCM_database/2007_3d_all/17905.mol2

Reference

1521, 5521

Num Hdonors

Drug Likeness

0.498

Num Hacceptors

Isomeric Smiles

C1C[C@@H](NC1)C(=O)O

Molecule Weight

115.15

Canonical Smiles

C1CC(NC1)C(=O)O

Herb Alias Names

D-proline344-25-2(2R)-pyrrolidine-2-carboxylic acid(R)-pyrrolidine-2-carboxylic acidH-D-Pro-OHD-(+)-ProlineR-ProlineD-ProMFCD00064317

Molecular Weight

0115.13

Molecular Formula

C5H9NO2

Molecular Formula

C5H9NO2

Num Rotatable Bonds