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
- 5870
- Core Entity Id
- 9710
- Source Entity Count
- 1
- Preferred Name
- 4-butylcyclohexanone
- Name En
- Pubchem Id
- 543708
- Smiles Canonical
- CCCCC1CCC(=O)CC1
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- CKUNTDNDGXPOPB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-2-3-4-9-5-7-10(11)8-6-9/h9H,2-8H2,1H3
- Isomeric Smiles
- CCCCC1CCC(=O)CC1
- Cas Id
- Ob Score
- Mol Logp
- 2.9359
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-butylcyclohexanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-butylcyclohexanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-butylcyclohexanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Butyl-cyclohexanone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Butyl-cyclohexanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-N-Butylcyclohexanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-N-Butylcyclohexanone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-butylcyclohexan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-butylcyclohexan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
61203-82-5
Role
alias
Source
HERB_v2
Preferred
No
Name
61203-82-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006279917
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006279917
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclohexanone, 4-butyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclohexanone, 4-butyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-009040
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-009040
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60337622
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60337622
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL918598
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL918598
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Butyl-cyclohexanone4-N-Butylcyclohexanone4-butylcyclohexan-1-one61203-82-5AKOS006279917Cyclohexanone, 4-butyl-DB-009040DTXSID60337622SCHEMBL918598
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010281
Npass
NPC78147
Tcmid
38337
Pub Chem
543708
Tcmbank
TCMBANKIN004514
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18O/c1-2-3-4-9-5-7-10(11)8-6-9/h9H,2-8H2,1H3
Mol Wt
154.253
Smiles
CCCCC1CCC(=O)CC1
Mol Log P
2.935900000000001
In Ch Ikey
CKUNTDNDGXPOPB-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.611
Num Hacceptors
1
Isomeric Smiles
CCCCC1CCC(=O)CC1
Canonical Smiles
CCCCC1CCC(=O)CC1
Herb Alias Names
4-N-Butylcyclohexanone61203-82-54-butylcyclohexan-1-one4-Butyl-cyclohexanoneCyclohexanone, 4-butyl-SCHEMBL918598DTXSID60337622AKOS006279917DB-009040
Molecular Weight
154.25 g/mol
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
3