Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36263
- Core Entity Id
- 43501
- Source Entity Count
- 1
- Preferred Name
- Valeramide
- Name En
- Pubchem Id
- 12298
- Smiles Canonical
- CCCCC(=O)N
- Molecular Formula
- C5H11NO
- Molecular Weight
- 101.1490
- Inchikey
- IPWFJLQDVFKJDU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
- Isomeric Smiles
- CCCCC(=O)N
- Cas Id
- 626-97-1
- Ob Score
- 67.5210
- Mol Logp
- 0.6619
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Valeramide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Valeramide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Valeramide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Valeramide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Valeramide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Valeramide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
42861-33-6
Role
alias
Source
TCMBank
Preferred
No
Name
626-97-1
Role
alias
Source
HERB_v2
Preferred
No
Name
626-97-1
Role
alias
Source
TCMBank
Preferred
No
Name
626-97-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-24387
Role
alias
Source
TCMBank
Preferred
No
Name
C01842
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16459
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 210-974-0
Role
alias
Source
TCMBank
Preferred
No
Name
FR-0155
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA08010002
Role
alias
Source
TCMBank
Preferred
No
Name
N-VALERAMIDE
Role
alias
Source
TCMBank
Preferred
No
Name
N-VALERAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
N-VALERAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 400223
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-400223
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-400223
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentanamide
Role
alias
Source
TCMBank
Preferred
No
Name
Pentanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentanamide (Valeramide)
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentanamide (Valeramide)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentanimidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentanimidic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Pentanimidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
TKL9TN43QK
Role
alias
Source
itcmdb_public
Preferred
No
Name
TKL9TN43QK
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-TKL9TN43QK
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-TKL9TN43QK
Role
alias
Source
itcmdb_public
Preferred
No
Name
Valeric acid amide
Role
alias
Source
HERB_v2
Preferred
No
Name
Valeric acid amide
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01529296
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
42861-33-6626-97-1AI3-24387C01842CHEBI:16459EINECS 210-974-0FR-0155LMFA08010002N-VALERAMIDENSC 400223NSC-400223PentanamidePentanamide (Valeramide)Pentanimidic acidTKL9TN43QKUNII-TKL9TN43QKValeric acid amideZINC01529296
Cross References
Trusted external identifiers retained for this final record.
Cas
626-97-1
Herb
HBIN047695
Tcmsp
MOL010881
Sym Map
SMIT11855
Pub Chem
12298
Tcmbank
TCMBANKIN035864
Etcm Ingredient
Valeramide
Itcmdb Generated
ITX-INGREDIENT-B518A2E9130D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
Mol Wt
101.149
Cas Id
626-97-1
Smiles
CCCCC(=O)N
Mol Log P
0.6619
Version
v1,v2
In Ch Ikey
IPWFJLQDVFKJDU-UHFFFAOYSA-N
Ob Score
67.52167.52117667.52117636
Suppress
0
Num Hdonors
1
Drug Likeness
0.557
Num Hacceptors
1
Isomeric Smiles
CCCCC(=O)N
Molecule Weight
101.17
Canonical Smiles
CCCCC(=O)N
Herb Alias Names
Pentanamide626-97-1N-VALERAMIDEPentanimidic acidValeric acid amidePentanamide (Valeramide)TKL9TN43QKNSC-400223UNII-TKL9TN43QK
Molecular Weight
101.080
Molecular Weight
101.15
Molecular Formula
C5H11NO
Molecular Formula
C5H11NO
Molecular Formula
C5H11NO
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.557