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
- 6035
- Core Entity Id
- 9891
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxy-3-methoxybenzamide
- Name En
- Pubchem Id
- 354088
- Smiles Canonical
- COC1=C(C=CC(=C1)C(=O)N)O
- Molecular Formula
- C8H9NO3
- Molecular Weight
- 167.1640
- Inchikey
- TZZAKSLHHIJRLL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H9NO3/c1-12-7-4-5(8(9)11)2-3-6(7)10/h2-4,10H,1H3,(H2,9,11)
- Isomeric Smiles
- COC1=C(C=CC(=C1)C(=O)N)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4997
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxy-3-Methoxybenzamide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Hydroxy-3-Methoxybenzamide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-hydroxy-3-methoxybenzamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-hydroxy-3-methoxybenzamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxy-3-methoxybenzamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-hydroxy-3-methoxybenzamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
19072-58-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
19072-58-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-3-methoxy-benzamide
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-3-methoxy-benzamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzamide, 4-hydroxy-3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzamide, 4-hydroxy-3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 604563
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 604563
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-ZI2G6PD23C
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-ZI2G6PD23C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vanillamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vanillamide
Role
alias
Source
HERB_v2
Preferred
No
Name
ZI2G6PD23C
Role
alias
Source
HERB_v2
Preferred
No
Name
ZI2G6PD23C
Role
alias
Source
itcmdb_public
Preferred
No
Name
vanillylamide
Role
alias
Source
HERB_v2
Preferred
No
Name
vanillylamide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
19072-58-34-hydroxy-3-methoxy-benzamideBenzamide, 4-hydroxy-3-methoxy-NSC 604563UNII-ZI2G6PD23CVanillamideZI2G6PD23Cvanillylamide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010474
Npass
NPC139324
Tcmid
40046
Sym Map
SMIT21506
Pub Chem
354088
Tcmbank
TCMBANKIN020557
Etcm Ingredient
4-hydroxy-3-methoxybenzamide
Itcmdb Generated
ITX-INGREDIENT-7CFDD1F1CCBCITX-INGREDIENT-E44149FCB46D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H9NO3/c1-12-7-4-5(8(9)11)2-3-6(7)10/h2-4,10H,1H3,(H2,9,11)
Mol Wt
167.164
Smiles
COC1=C(C=CC(=C1)C(=O)N)O
Mol Log P
0.4997000000000001
Version
v2
In Ch Ikey
TZZAKSLHHIJRLL-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.673
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=CC(=C1)C(=O)N)O
Canonical Smiles
COC1=C(C=CC(=C1)C(=O)N)O
Herb Alias Names
Vanillamide19072-58-3Benzamide, 4-hydroxy-3-methoxy-vanillylamideUNII-ZI2G6PD23CZI2G6PD23CNSC 6045634-hydroxy-3-methoxy-benzamideNSC-604563
Molecular Weight
167.060
Molecular Weight
167.16 g/mol
Molecular Formula
C8H9NO3
Molecular Formula
C8H9NO3
Molecular Formula
C8H9NO3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.673