Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68425
- Core Entity Id
- 131074
- Source Entity Count
- 1
- Preferred Name
- 4,4'-dihydroxy-3,3'-imino-di-benzoic acid
- Name En
- Pubchem Id
- 91459215
- Smiles Canonical
- C1=CC(=C(C=C1C(=O)O)NC2=C(C=CC(=C2)C(=O)O)O)O
- Molecular Formula
- C14H11NO6
- Molecular Weight
- 289.0600
- Inchikey
- VBIFUYOTYKDZLD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H11NO6/c16-11-3-1-7(13(18)19)5-9(11)15-10-6-8(14(20)21)2-4-12(10)17/h1-6,15-17H,(H,18,19)(H,20,21)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 127.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,4'-dihydroxy-3,3'-imino-di-benzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4,4'-dihydroxy-3,3'-imino-di-benzoic acid
Itcmdb Generated
ITX-INGREDIENT-D23CE11825D7
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
289.060
Molecular Formula
C14H11NO6
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.546