Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31168
- Core Entity Id
- 37830
- Source Entity Count
- 1
- Preferred Name
- Pyridine-2,6-dicarboxylicacid
- Name En
- Pubchem Id
- 10367
- Smiles Canonical
- C1=CC(=NC(=C1)C(=O)O)C(=O)O
- Molecular Formula
- C7H5NO4
- Molecular Weight
- 167.1200
- Inchikey
- WJJMNDUMQPNECX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
- Isomeric Smiles
- C1=CC(=NC(=C1)C(=O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4780
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pyridine-2,6-dicarboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pyridine-2,6-dicarboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pyridine-2,6-dicarboxylicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pyridine-2,6-dicarboxylicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
蛹虫草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YONG CHONG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Scarlet Caterpillar Fungus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,6-Dicarboxypyridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dicarboxypyridine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dipicolinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Dipicolinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Pyridinedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Pyridinedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-pyridinedicarboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-pyridinedicarboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
499-83-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
499-83-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipicolinate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipicolinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dipicolinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dipicolinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00006299
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00006299
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 176
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 176
Role
alias
Source
itcmdb_public
Preferred
No
Name
PYRIDINE-2,6-DICARBOXYLIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
PYRIDINE-2,6-DICARBOXYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Pyridine-2,6-dicarboxylic acid蛹虫草YONG CHONG CAOScarlet Caterpillar Fungus2,6-Dicarboxypyridine2,6-Dipicolinic acid2,6-Pyridinedicarboxylic acid2,6-pyridinedicarboxylate499-83-2DipicolinateDipicolinic acidMFCD00006299NSC 176
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041383
Tcmid
18244
Pub Chem
10367
Tcmbank
TCMBANKIN020548TCMBANKIN025050
Etcm Ingredient
Pyridine-2,6-dicarboxylic acid
Itcmdb Generated
ITX-INGREDIENT-12A67D3997C9ITX-INGREDIENT-55B5C88488D4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
Mol Wt
167.12
Smiles
C1=CC(=NC(=C1)C(=O)O)C(=O)O
Mol Log P
0.478
In Ch Ikey
WJJMNDUMQPNECX-UHFFFAOYSA-N
Tcm Name
蛹虫草
Tcm Name2
YONG CHONG CAO
Mol2 Path
/TCM_database/2007_3d_all/18258.mol2
Reference
4784
Num Hdonors
2
Tcm Name En
Scarlet Caterpillar Fungus
Drug Likeness
0.668
Num Hacceptors
3
Isomeric Smiles
C1=CC(=NC(=C1)C(=O)O)C(=O)O
Canonical Smiles
C1=CC(=NC(=C1)C(=O)O)C(=O)O
Herb Alias Names
2,6-Pyridinedicarboxylic acid499-83-2PYRIDINE-2,6-DICARBOXYLIC ACIDDipicolinic acid2,6-Dipicolinic acidDipicolinate2,6-Dicarboxypyridine2,6-pyridinedicarboxylateMFCD00006299NSC 176
Molecular Weight
167.020
Molecular Weight
167.12 g/mol
Molecular Formula
C7H5NO4
Molecular Formula
C7H5NO4
Molecular Formula
C7H5NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.668