Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15339
- Core Entity Id
- 20217
- Source Entity Count
- 1
- Preferred Name
- Cpi
- Name En
- Pubchem Id
- 6918006
- Smiles Canonical
- C1CCNC(C1)C(=O)O
- Molecular Formula
- C6H11NO2
- Molecular Weight
- 129.1590
- Inchikey
- HXEACLLIILLPRG-RXMQYKEDSA-N
- Inchi
- InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
- Isomeric Smiles
- C1CCN[C@H](C1)C(=O)O
- Cas Id
- 535-75-1
- Ob Score
- 59.8810
- Mol Logp
- 0.2131
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cpi
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
D-Homoproline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
CPI
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cpi
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cpi
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cpi
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
D-Homoproline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
D-Homoproline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
D-Homoproline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
D-homoproline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
D-homoproline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-Pipecolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Pipecolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-piperidinecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-pipecolinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-piperidine-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-piperidine-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-piperidine-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-piperidinecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-pipecolinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-piperidine-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(D)-PIPECOLIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-()-2-Piperidinecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-Piperidine-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-Piperidine-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-pipecolic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(-)-pipecolic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(−)-2-Piperidinecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-piperidine-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
1723-00-8
Role
alias
Source
HERB_v2
Preferred
No
Name
1723-00-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Piperidinecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
268062_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
6-CARBOXYPIPERIDINE
Role
alias
Source
TCMBank
Preferred
No
Name
C00408
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30913
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:41582
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:46876
Role
alias
Source
TCMBank
Preferred
No
Name
D-Homoproline
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Homoproline
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Pipecolinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Pipecolinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
D-Pipecolinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-pipecolic acid
Role
alias
Source
TCMBank
Preferred
No
Name
D-pipecolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-(-)-pipecolic acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-Homoproline
Role
alias
Source
TCMBank
Preferred
No
Name
L-pipecolate ester
Role
alias
Source
TCMBank
Preferred
No
Name
L-pipecolate esters
Role
alias
Source
TCMBank
Preferred
No
Name
P2519_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Pipecolic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Pipecolinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
SBB006732
Role
alias
Source
TCMBank
Preferred
No
Name
h-d-hopro-oh
Role
alias
Source
HERB_v2
Preferred
No
Name
h-d-hopro-oh
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Pipecolinic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
L-pipecolinic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
l-pipecolinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-Piperidine-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Piperidinecarboxylic acid, (2S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3105-95-1
Role
alias
Source
HERB_v2
Preferred
No
Name
L-pipecolate
Role
alias
Source
HERB_v2
Preferred
No
Name
h-hopro-oh
Role
alias
Source
itcmdb_public
Preferred
No
Name
l(-)-pipecolinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Pipecolic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
D-Homoproline(+)-Pipecolic acid(2R)-2-piperidinecarboxylic acid(2R)-pipecolinic acid(2R)-piperidine-2-carboxylic acid(2S)-2-piperidinecarboxylic acid(2S)-pipecolinic acid(2S)-piperidine-2-carboxylic acid(D)-PIPECOLIC ACID(R)-()-2-Piperidinecarboxylic acid(R)-Piperidine-2-carboxylic acid(R)-pipecolic acid(S)-(-)-pipecolic acid(S)-(−)-2-Piperidinecarboxylic acid(S)-piperidine-2-carboxylic acid1723-00-82-Piperidinecarboxylic acid268062_ALDRICH6-CARBOXYPIPERIDINEC00408CHEBI:30913CHEBI:41582CHEBI:46876D-Pipecolinic acidD-pipecolic acidL-(-)-pipecolic acidL-HomoprolineL-pipecolate esterL-pipecolate estersP2519_SIGMAPipecolic acidPipecolinic acidSBB006732h-d-hopro-ohL-Pipecolinic Acid2-Piperidinecarboxylic acid, (2S)-3105-95-1L-pipecolateh-hopro-ohl(-)-pipecolinic acidl-Pipecolic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
3105-95-1535-75-1
Herb
HBIN021642HBIN023538HBIN033597
Tcmid
23758
Tcmsp
MOL003795MOL012901
Sym Map
SMIT05814SMIT13625SMIT24980
Tcm Id
2889
Pub Chem
6918006736316439227
Tcmbank
TCMBANKIN000244TCMBANKIN020456TCMBANKIN024528
Etcm Ingredient
D-Homoproline
Itcmdb Generated
ITX-INGREDIENT-4301B8528C5EITX-INGREDIENT-D20CA9873478
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
Mol Wt
129.159
Cas Id
535-75-1
Smiles
C1CCNC(C1)C(=O)OCC(C)(C(=O)OC)[N+]#[C-]
Mol Log P
0.2131000000000001
Version
v1,v2
In Ch Ikey
HXEACLLIILLPRG-RXMQYKEDSA-N
Ob Score
59.88159.8811317759.88113266.1439307166.14393166.144
Suppress
0
Num Hdonors
2
Drug Likeness
0.532
Num Hacceptors
2
Isomeric Smiles
C1CCN[C@H](C1)C(=O)O
Molecule Weight
129.18
Canonical Smiles
C1CCNC(C1)C(=O)O
Herb Alias Names
1723-00-8(R)-Piperidine-2-carboxylic acidD-pipecolic acidD-Pipecolinic acidD-Homoproline(2R)-piperidine-2-carboxylic acidd(+)-pipecolinic acid(+)-Pipecolic acid(D)-PIPECOLIC ACIDh-d-hopro-oh
Molecular Weight
129.080
Molecular Weight
129.16
Molecular Formula
C6H11NO2
Molecular Formula
C6H11NO2
Molecular Formula
C6H11NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.532