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
- 36499
- Core Entity Id
- 43763
- Source Entity Count
- 1
- Preferred Name
- Violyedoenamide
- Name En
- Pubchem Id
- 13888179
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O
- Molecular Formula
- C32H57NO2
- Molecular Weight
- 487.8130
- Inchikey
- XCBHQBOPFMVQJD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(35)33-29-28-30-24-26-31(34)27-25-30/h24-27,34H,2-23,28-29H2,1H3,(H,33,35)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O
- Cas Id
- Ob Score
- Mol Logp
- 9.6530
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.1350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Violyedoenamide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Violyedoenamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Violyedoenamide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Violyedoenamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Violyedoenamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
violyedoenamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
AKOS040736298
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040736298
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1099093
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1099093
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(2-(4-hydroxyphenyl)ethyl)tetracosanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(2-(4-hydroxyphenyl)ethyl)tetracosanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(4-hydroxyphenethyl)tetracosanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(4-hydroxyphenethyl)tetracosanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Tetracosanoyltyramine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Tetracosanoyltyramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL13804558
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13804558
Role
alias
Source
itcmdb_public
Preferred
No
Name
tetracosanoyl-p-hydroxy phenethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
tetracosanoyl-p-hydroxy phenethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AKOS040736298CHEMBL1099093N-(2-(4-hydroxyphenyl)ethyl)tetracosanamideN-(4-hydroxyphenethyl)tetracosanamideN-TetracosanoyltyramineSCHEMBL13804558tetracosanoyl-p-hydroxy phenethylamine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047991
Npass
NPC258056
Tcmid
22506
Sym Map
SMIT18182
Pub Chem
13888179
Tcmbank
TCMBANKIN042728
Etcm Ingredient
Violyedoenamide
Itcmdb Generated
ITX-INGREDIENT-2ABD7B754A1E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C32H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(35)33-29-28-30-24-26-31(34)27-25-30/h24-27,34H,2-23,28-29H2,1H3,(H,33,35)
Mol Wt
487.8130000000003
Smiles
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O
Mol Log P
9.652999999999999
Version
v1,v2
In Ch Ikey
XCBHQBOPFMVQJD-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/22522.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.135
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O
Herb Alias Names
N-(4-hydroxyphenethyl)tetracosanamideN-TetracosanoyltyramineN-(2-(4-hydroxyphenyl)ethyl)tetracosanamideN-[2-(4-HYDROXYPHENYL)ETHYL]TETRACOSANAMIDECHEMBL1099093SCHEMBL13804558tetracosanoyl-p-hydroxy phenethylamineAKOS040736298
Molecular Weight
193.110
Molecular Formula
C11H15NO2
Molecular Formula
C32H57NO2
Num Rotatable Bonds
25
Fda Maximum Daily Dose (Fdamdd)
0.055
Quantitative Estimate Of Drug Likeness（Qed）
0.760