Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10746
- Core Entity Id
- 15106
- Source Entity Count
- 1
- Preferred Name
- Aniline
- Name En
- Pubchem Id
- 6115
- Smiles Canonical
- C1=CC=C(C=C1)N
- Molecular Formula
- C6H7N
- Molecular Weight
- 93.1290
- Inchikey
- PAYRUJLWNCNPSJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
- Isomeric Smiles
- C1=CC=C(C=C1)N
- Cas Id
- 62-53-3
- Ob Score
- Mol Logp
- 1.2688
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aniline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Aniline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aniline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aniline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
aniline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-[2,4-dinitro-5-(2,4,6-trimethylphenoxy)anilino]benzonitrile
Role
alias
Source
TCMBank
Preferred
No
Name
4-[2,4-dinitro-5-(2,4,6-trimethylphenoxy)anilino]benzonitrile
Role
alias
Source
SymMap_v2
Preferred
No
Name
62-53-3
Role
alias
Source
HERB_v2
Preferred
No
Name
62-53-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminobenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminobenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminophen
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminophen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anilin
Role
alias
Source
HERB_v2
Preferred
No
Name
Anilin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Arylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1173109
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL1173109
Role
alias
Source
TCMBank
Preferred
No
Name
Cyanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kyanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kyanol
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(4'-Cyanophenyl)-2,4-dinitro-5-(2"",4"",6""-trimethylphenoxy)-aniline
Role
alias
Source
TCMBank
Preferred
No
Name
N-(4'-Cyanophenyl)-2,4-dinitro-5-(2",4",6"-trimethylphenoxy)-aniline
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2896050
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2896050
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-[2,4-dinitro-5-(2,4,6-trimethylphenoxy)anilino]benzonitrile62-53-3AminobenzeneAminophenAnilinArylamineBenzenamineCHEMBL1173109CyanolKyanolN-(4'-Cyanophenyl)-2,4-dinitro-5-(2"",4"",6""-trimethylphenoxy)-anilineN-(4'-Cyanophenyl)-2,4-dinitro-5-(2",4",6"-trimethylphenoxy)-anilinePhenylamineSCHEMBL2896050
Cross References
Trusted external identifiers retained for this final record.
Cas
62-53-3
Hit
C0908
Herb
HBIN016178
Npass
NPC271732
Tcmid
23103
Sym Map
SMIT01666
Tcm Id
6763
Pub Chem
6115
Tcmbank
TCMBANKIN009917
Drug Bank
DB06728
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Mol Wt
93.12899999999999
Cas Id
62-53-3
Smiles
C1=CC=C(C=C1)N
Mol Log P
1.2688
Version
v1,v2
In Ch Ikey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.48
Num Hacceptors
1
Isomeric Smiles
C1=CC=C(C=C1)N
Molecule Weight
92.1283
Canonical Smiles
C1=CC=C(C=C1)N
Herb Alias Names
BenzenaminePhenylamine62-53-3AminobenzeneAminophenArylamineKyanolAnilinCyanol
Molecular Weight
93.13
Molecule Formula
C6H7N
Molecular Formula
C6H7N
Molecular Formula
C6H7N
Num Rotatable Bonds
0