Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39571
- Core Entity Id
- 74805
- Source Entity Count
- 1
- Preferred Name
- 1-isobutyl-2,5-dimethylcyclohexylamine
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C12H25N
- Molecular Weight
- 183.3800
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 78.6520
- 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-Isobutyl-2,5-Dimethylcyclohexylamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Isobutyl-2,5-Dimethylcyclohexylamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-isobutyl-2,5-dimethylcyclohexylamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-isobutyl-2,5-dimethylcyclohexylamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-isobutyl-2,5-dimethylcyclohexylamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-isobutyl-2,5-dimethylcyclohexylamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002673
Tcmsp
MOL009507
Sym Map
SMIT10629
Tcmbank
TCMBANKIN021964
Etcm Ingredient
1-isobutyl-2,5-dimethylcyclohexylamine
Itcmdb Generated
ITX-INGREDIENT-AE69C248BAF3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
78.65278.6520415678.652042
Suppress
0
Molecule Weight
183.38
Molecular Weight
183.200
Molecular Weight
183.38
Molecular Formula
C12H25N
Fda Maximum Daily Dose (Fdamdd)
0.369
Quantitative Estimate Of Drug Likeness（Qed）
0.699