Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67059
- Core Entity Id
- 129708
- Source Entity Count
- 1
- Preferred Name
- 2,5-Di-tert-butyl-1,4-benzoquinone
- Name En
- Pubchem Id
- 17161
- Smiles Canonical
- CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
- Molecular Formula
- C14H20O2
- Molecular Weight
- 220.1500
- Inchikey
- ZZYASVWWDLJXIM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-Di-tert-butyl-1,4-benzoquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,5-Di-tert-butyl-1,4-benzoquinone
Itcmdb Generated
ITX-INGREDIENT-89608B4C0FD8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
220.150
Molecular Formula
C14H20O2
Fda Maximum Daily Dose (Fdamdd)
0.756
Quantitative Estimate Of Drug Likeness（Qed）
0.588