Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1627
- Core Entity Id
- 4999
- Source Entity Count
- 1
- Preferred Name
- 2-benzamidobenzoic acid
- Name En
- Pubchem Id
- 68482
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
- Molecular Formula
- C14H11NO3
- Molecular Weight
- 241.2460
- Inchikey
- WXVLIIDDWFGYCV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
- Cas Id
- 579-93-1
- Ob Score
- Mol Logp
- 2.6371
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-benzamidobenzoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-benzamidobenzoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-benzamidobenzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-Carboxybenzanilide
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-Carboxybenzanilide
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(Benzoylamino)benzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Benzoylamino-benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
579-93-1
Role
alias
Source
HERB_v2
Preferred
No
Name
579-93-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 2-(benzoylamino)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2-(benzoylamino)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoylanthranilic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Benzoylanthranilic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Benzoylanthranilic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
benzoyl anthranilic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
dianthramid B
Role
alias
Source
HERB_v2
Preferred
No
Name
dianthramid B
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2'-Carboxybenzanilide2-(Benzoylamino)benzoic acid2-Benzoylamino-benzoic acid579-93-1Benzoic acid, 2-(benzoylamino)-Benzoylanthranilic acidN-Benzoylanthranilic acidbenzoyl anthranilic aciddianthramid B
Cross References
Trusted external identifiers retained for this final record.
Cas
579-93-1
Herb
HBIN005342
Tcm Id
8695
Pub Chem
68482
Tcmbank
TCMBANKIN010409
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
Mol Wt
241.246
Cas Id
579-93-1
Smiles
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
Mol Log P
2.6371
In Ch Ikey
WXVLIIDDWFGYCV-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.868
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
Canonical Smiles
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O
Herb Alias Names
2-(Benzoylamino)benzoic acid579-93-1N-Benzoylanthranilic aciddianthramid BBenzoic acid, 2-(benzoylamino)-2-Benzoylamino-benzoic acid2'-CarboxybenzanilideBenzoylanthranilic acidbenzoyl anthranilic acid
Molecular Weight
241.24
Molecular Formula
C14H11NO3
Molecular Formula
C14H11NO3
Num Rotatable Bonds
3