Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 1Target: 12Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30681
- Core Entity Id
- 37283
- Source Entity Count
- 1
- Preferred Name
- Prolinum
- Name En
- Pubchem Id
- 145742
- Smiles Canonical
- C1CC(NC1)C(=O)O
- Molecular Formula
- C5H9NO2
- Molecular Weight
- 115.1320
- Inchikey
- ONIBWKKTOPOVIA-BYPYZUCNSA-N
- Inchi
- InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
- Isomeric Smiles
- C1C[C@H](NC1)C(=O)O
- Cas Id
- 18875-45-1
- Ob Score
- 77.5747
- Mol Logp
- -0.1770
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Prolinum
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Prolinum
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Prolinum
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Prolinum
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Prolinum
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-(S)-Proline
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-(S)-Proline
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-(S)-Proline
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Proline (S)-2-Carboxypyrrolidine
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-pyrrolidinecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-proline
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-pyrrolidine-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-pyrrolidine-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-pyrrolidine-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-Pyrrolidine-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-Pyrrolidine-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-pyrrolidine-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
147-85-3
Role
alias
Source
HERB_v2
Preferred
No
Name
147-85-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
18875-45-1
Role
alias
Source
TCMBank
Preferred
No
Name
2-pyrrolidinecarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-pyrrolidinecarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
37159-97-0
Role
alias
Source
TCMBank
Preferred
No
Name
4305-67-3
Role
alias
Source
TCMBank
Preferred
No
Name
4607-28-7
Role
alias
Source
TCMBank
Preferred
No
Name
608998_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
81709_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
81710_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS018625
Role
alias
Source
TCMBank
Preferred
No
Name
C00148
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17203
Role
alias
Source
TCMBank
Preferred
No
Name
Carboxypyrrolidine
Role
alias
Source
TCMBank
Preferred
No
Name
D00035
Role
alias
Source
TCMBank
Preferred
No
Name
H-Pro-OH
Role
alias
Source
HERB_v2
Preferred
No
Name
H-Pro-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-(-)-Proline
Role
alias
Source
TCMBank
Preferred
No
Name
L-(-)-Proline
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-(2,3-3H)Proline
Role
alias
Source
TCMBank
Preferred
No
Name
L-Prolin
Role
alias
Source
TCMBank
Preferred
No
Name
L-Proline (JAN)
Role
alias
Source
TCMBank
Preferred
No
Name
L-Proline, labeled with carbon-14
Role
alias
Source
TCMBank
Preferred
No
Name
L-Proline-15N
Role
alias
Source
TCMBank
Preferred
No
Name
L-proline
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00014017
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-97923
Role
alias
Source
TCMBank
Preferred
No
Name
P0380_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
P5607_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
P8865_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
Proline (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
W331902_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
nchembio816-comp9
Role
alias
Source
TCMBank
Preferred
No
Name
proline
Role
alias
Source
HERB_v2
Preferred
No
Name
proline
Role
alias
Source
TCMBank
Preferred
No
Name
proline
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-(S)-Proline(-)-Proline (S)-2-Carboxypyrrolidine(2S)-2-pyrrolidinecarboxylic acid(2S)-proline(2S)-pyrrolidine-2-carboxylic acid(S)-Pyrrolidine-2-carboxylic acid147-85-318875-45-12-pyrrolidinecarboxylic acid37159-97-04305-67-34607-28-7608998_ALDRICH81709_FLUKA81710_FLUKAAIDS018625C00148CHEBI:17203CarboxypyrrolidineD00035H-Pro-OHL-(-)-ProlineL-(2,3-3H)ProlineL-ProlinL-Proline (JAN)L-Proline, labeled with carbon-14L-Proline-15NL-prolineNCGC00014017NSC-97923P0380_SIALP5607_SIGMAP8865_SIALProline (USP)W331902_ALDRICHnchembio816-comp9proline
Cross References
Trusted external identifiers retained for this final record.
Cas
18875-45-1
Herb
HBIN040809HBIN040811
Tcmid
1789117892
Tcmsp
MOL000061
Sym Map
SMIT02741SMIT17319
Pub Chem
145742
Tcmbank
TCMBANKIN058586
Drug Bank
DB00172
Etcm Ingredient
Prolinum
Itcmdb Generated
ITX-INGREDIENT-63B5053F4392
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
Mol Wt
115.132
Cas Id
18875-45-1
Smiles
C1CC(NC1)C(=O)O
Mol Log P
-0.1770000000000003
Version
v1,v2
In Ch Ikey
ONIBWKKTOPOVIA-BYPYZUCNSA-N
Ob Score
77.57468177.5746812977.575
Suppress
0
Num Hdonors
2
Drug Likeness
0.498
Num Hacceptors
2
Isomeric Smiles
C1C[C@H](NC1)C(=O)O
Molecule Weight
115.15
Canonical Smiles
C1CC(NC1)C(=O)O
Herb Alias Names
L-prolineproline147-85-3L-(-)-Proline(2S)-pyrrolidine-2-carboxylic acid(S)-Pyrrolidine-2-carboxylic acid2-pyrrolidinecarboxylic acidH-Pro-OH(-)-Proline(-)-(S)-Proline
Molecular Weight
115.060
Molecular Weight
115.13 g/mol
Molecular Formula
C5H9NO2
Molecular Formula
C5H9NO2
Molecular Formula
C5H9NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.498