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: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11998
- Core Entity Id
- 16503
- Source Entity Count
- 1
- Preferred Name
- Balata
- Name En
- Pubchem Id
- 1514328
- Smiles Canonical
- C1CN(CC1C(=O)O)CC2=CC=CC=C2
- Molecular Formula
- C12H15NO2
- Molecular Weight
- 205.2570
- Inchikey
- RLRDUQNUBMAYDS-NSHDSACASA-N
- Inchi
- InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
- Isomeric Smiles
- C1CN(C[C@H]1C(=O)O)CC2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 1.5931
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Balata
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Balata
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Balata
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Balata
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
balata
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S)-1-benzylpyrrolidine-3-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-1-benzylpyrrolidine-3-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-1-Benzyl-pyrrolidine-3-carboxylicacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-1-N-BENZYL-BETA-PROLINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-1-N-BENZYL-BETA-PROLINE
Role
alias
Source
HERB_v2
Preferred
No
Name
161659-80-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
161659-80-9
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, (3s)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10363855
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10363855
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD04115301
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD04115301
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9037650
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9037650
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S)-1-benzylpyrrolidine-3-carboxylic acid(S)-1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID(S)-1-Benzyl-pyrrolidine-3-carboxylicacid(S)-1-N-BENZYL-BETA-PROLINE161659-80-93-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3S)-3-pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, (3s)-DTXSID10363855MFCD04115301SCHEMBL9037650
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017555
Npass
NPC196590
Tcmid
24767
Sym Map
SMIT18690
Pub Chem
1514328
Tcmbank
TCMBANKIN013363
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H15NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
Mol Wt
205.257
Smiles
C1CN(CC1C(=O)O)CC2=CC=CC=C2
Mol Log P
1.5931
Version
v1,v2
In Ch Ikey
RLRDUQNUBMAYDS-NSHDSACASA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.814
Num Hacceptors
2
Isomeric Smiles
C1CN(C[C@H]1C(=O)O)CC2=CC=CC=C2
Canonical Smiles
C1CN(CC1C(=O)O)CC2=CC=CC=C2
Herb Alias Names
161659-80-9(S)-1-BENZYL-PYRROLIDINE-3-CARBOXYLIC ACID(3S)-1-benzylpyrrolidine-3-carboxylic acid(S)-1-N-BENZYL-BETA-PROLINE3-pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, (3s)-3-Pyrrolidinecarboxylicacid, 1-(phenylmethyl)-, (3S)-(S)-1-Benzyl-pyrrolidine-3-carboxylicacidMFCD04115301SCHEMBL9037650DTXSID10363855
Molecular Formula
C12H15NO2
Num Rotatable Bonds
3