Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 11Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7722
- Core Entity Id
- 11761
- Source Entity Count
- 1
- Preferred Name
- 6-isoquinolylamine
- Name En
- Pubchem Id
- 588991
- Smiles Canonical
- C1=CC2=C(C=CN=C2)C=C1N
- Molecular Formula
- C9H8N2
- Molecular Weight
- 144.1770
- Inchikey
- NGFCTYXFMDWFRQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
- Isomeric Smiles
- C1=CC2=C(C=CN=C2)C=C1N
- Cas Id
- 23687-26-5
- Ob Score
- 30.4649
- Mol Logp
- 1.8170
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Isoquinolylamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Isoquinolylamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-isoquinolylamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-isoquinolylamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-isoquinolylamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-isoquinolylamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
23687-26-5
Role
alias
Source
HERB_v2
Preferred
No
Name
23687-26-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Aminoisoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Isoquinolinamine
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Isoquinolinamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Isoquinolinamine
Role
alias
Source
TCMBank
Preferred
No
Name
6-amino-isoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
BP6NQZ58UP
Role
alias
Source
itcmdb_public
Preferred
No
Name
BP6NQZ58UP
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL28687
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL28687
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoquinolin-6-ylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoquinolin-6-ylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoquinoline, 6-amino-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoquinoline, 6-amino-
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 6-amino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD04114862
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD04114862
Role
alias
Source
itcmdb_public
Preferred
No
Name
isoquinolin-6-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
isoquinolin-6-amine
Role
alias
Source
TCMBank
Preferred
No
Name
isoquinolin-6-amine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
23687-26-56-Aminoisoquinoline6-Isoquinolinamine6-amino-isoquinolineBP6NQZ58UPCHEMBL28687Isoquinolin-6-ylamineIsoquinoline, 6-amino-MFCD04114862isoquinolin-6-amine
Cross References
Trusted external identifiers retained for this final record.
Cas
23687-26-5
Herb
HBIN012482
Tcmsp
MOL001684
Sym Map
SMIT04060
Pub Chem
588991
Tcmbank
TCMBANKIN008419
Etcm Ingredient
6-isoquinolylamine
Itcmdb Generated
ITX-INGREDIENT-9DBF31EC9A4C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
Mol Wt
144.177
Cas Id
23687-26-5
Smiles
C1=CC2=C(C=CN=C2)C=C1N
Mol Log P
1.817
Version
v1,v2
In Ch Ikey
NGFCTYXFMDWFRQ-UHFFFAOYSA-N
Ob Score
30.46491730.4649170530.465
Suppress
0
Num Hdonors
1
Drug Likeness
0.573
Num Hacceptors
2
Isomeric Smiles
C1=CC2=C(C=CN=C2)C=C1N
Molecule Weight
144.19
Canonical Smiles
C1=CC2=C(C=CN=C2)C=C1N
Herb Alias Names
6-Aminoisoquinoline23687-26-5isoquinolin-6-amine6-IsoquinolinamineIsoquinolin-6-ylamineIsoquinoline, 6-amino-MFCD04114862CHEMBL286876-amino-isoquinolineBP6NQZ58UP
Molecular Weight
144.070
Molecular Weight
144.17
Molecular Formula
C9H8N2
Molecular Formula
C9H8N2
Molecular Formula
C9H8N2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.419
Quantitative Estimate Of Drug Likeness（Qed）
0.573