Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37645
- Core Entity Id
- 57385
- Source Entity Count
- 1
- Preferred Name
- 1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C10H12O2
- Molecular Weight
- 164.2200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- 23985-22-0
- Ob Score
- 48.9429
- 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
1,1,5-Trimethyl-2-Formylcyclohexa-2,5-Diene-4-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1,5-trimethyl-2-formyl-cyclohexa-2,5-diene-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
当归
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DANG GUI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Angelica
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1,5-Trimethyl-2-Formylcyclohexa-2,5-Diene-4-One当归DANG GUIChinese Angelica4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde
Cross References
Trusted external identifiers retained for this final record.
Cas
23985-22-0
Herb
HBIN000322
Tcmid
21941
Tcmsp
MOL008272
Sym Map
SMIT00863
Tcmbank
TCMBANKIN049011
Etcm Ingredient
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one
Itcmdb Generated
ITX-INGREDIENT-D458FE9BD04B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
23985-22-0
Version
v1
Ob Score
48.9429339348.94293448.943
Suppress
0
Tcm Name
当归
Tcm Name2
DANG GUI
Mol2 Path
/TCM_database/2007_3d_all/21957.mol2
Reference
660
Tcm Name En
Chinese Angelica
Molecule Weight
164.22
Herb Alias Names
1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde
Molecular Weight
164.080
Molecular Weight
164.22
Molecule Formula
C10H12O2
Molecular Formula
C10H12O2
Molecular Formula
C10H12O2
Fda Maximum Daily Dose (Fdamdd)
0.793
Quantitative Estimate Of Drug Likeness（Qed）
0.552