Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67031
- Core Entity Id
- 129680
- Source Entity Count
- 1
- Preferred Name
- 2,4-diphenylcyclobutane-1,3-dicarboxylic acid
- Name En
- Pubchem Id
- 78213
- Smiles Canonical
- C1=CC=C(C=C1)C2C(C(C2C(=O)O)C3=CC=CC=C3)C(=O)O
- Molecular Formula
- C18H16O4
- Molecular Weight
- 296.1000
- Inchikey
- QWFRRFLKWRIKSZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 74.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-diphenylcyclobutane-1,3-dicarboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,4-diphenylcyclobutane-1,3-dicarboxylic acid
Itcmdb Generated
ITX-INGREDIENT-6688E06213AD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
296.100
Molecular Formula
C18H16O4
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.909