Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4574
- Core Entity Id
- 8274
- Source Entity Count
- 1
- Preferred Name
- 3-isopropyl-6-tert-butyl-2,5-piperazinedione
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C11H20N2O2
- Molecular Weight
- 212.1500
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Isopropyl-6-tert-butyl-2,5-piperazinedione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-Isopropyl-6-tert-butyl-2,5-piperazinedione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-isopropyl-6-tert-butyl-2,5-piperazinedione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-isopropyl-6-tert-butyl-2,5-piperazinedione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
掌叶半夏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHANG YE BAN XIA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pedate Pinellia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
掌叶半夏ZHANG YE BAN XIAPedate Pinellia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008773
Tcmid
11628
Tcmbank
TCMBANKIN050345
Etcm Ingredient
3-Isopropyl-6-tert-butyl-2,5-piperazinedione
Itcmdb Generated
ITX-INGREDIENT-D215E991892C
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
掌叶半夏
Tcm Name2
ZHANG YE BAN XIA
Mol2 Path
/TCM_database/2007_3d_all/11631.mol2
Reference
660
Tcm Name En
Pedate Pinellia
Molecular Weight
212.150
Molecular Formula
C11H20N2O2
Molecular Formula
C11H20N2O2
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.671