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
- 66036
- Core Entity Id
- 128685
- Source Entity Count
- 1
- Preferred Name
- 1,2-longidione
- Name En
- Pubchem Id
- 534856
- Smiles Canonical
- CC1(CCCC2(C3C1C(CC3)C(=O)C2=O)C)C
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.1600
- Inchikey
- UNRUQXSWVRAKDG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)10-6-5-9(11(10)14)12(16)13(15)17/h9-11H,4-8H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.3000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-longidione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2-longidione
Itcmdb Generated
ITX-INGREDIENT-928DD4431F37
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
234.160
Molecular Formula
C15H22O2
Fda Maximum Daily Dose (Fdamdd)
0.467
Quantitative Estimate Of Drug Likeness（Qed）
0.604