Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8503
- Core Entity Id
- 12622
- Source Entity Count
- 1
- Preferred Name
- 7-methyladenine
- Name En
- Pubchem Id
- 71593
- Smiles Canonical
- CN1C=NC2=NC=NC(=C21)N
- Molecular Formula
- C6H7N5
- Molecular Weight
- 149.1570
- Inchikey
- HCGHYQLFMPXSDU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)
- Isomeric Smiles
- CN1C=NC2=NC=NC(=C21)N
- Cas Id
- Ob Score
- Mol Logp
- -0.0545
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Methyladenine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Methyladenine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-methyladenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-methyladenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-methyladenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-Amino-7-methylpurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Amino-7-methylpurine
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methyl-7H-purin-6-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methyl-7H-purin-6-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methylpurin-6-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methylpurin-6-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-Purin-6-amine, 7-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-Purin-6-amine, 7-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Purin-6-amine, 7-methyl- (9CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Purin-6-amine, 7-methyl- (9CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
935-69-3
Role
alias
Source
HERB_v2
Preferred
No
Name
935-69-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adenine, 7-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Adenine, 7-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00127790
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00127790
Role
alias
Source
itcmdb_public
Preferred
No
Name
N7-Methyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N7-Methyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-Amino-7-methylpurine7-Methyl-7H-purin-6-amine7-methylpurin-6-amine7H-Purin-6-amine, 7-methyl-7H-Purin-6-amine, 7-methyl- (9CI)935-69-3Adenine, 7-methyl-MFCD00127790N7-Methyladenine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013357
Npass
NPC174114
Tcmid
35270
Sym Map
SMIT21986
Pub Chem
71593
Tcmbank
TCMBANKIN006383
Itcmdb Generated
ITX-INGREDIENT-BF74DC183EDE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)
Mol Wt
149.157
Smiles
CN1C=NC2=NC=NC(=C21)N
Mol Log P
-0.0545000000000001
Version
v2
In Ch Ikey
HCGHYQLFMPXSDU-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.57
Num Hacceptors
5
Isomeric Smiles
CN1C=NC2=NC=NC(=C21)N
Canonical Smiles
CN1C=NC2=NC=NC(=C21)N
Herb Alias Names
935-69-37-Methyl-7H-purin-6-amine6-Amino-7-methylpurine7H-Purin-6-amine, 7-methyl-Adenine, 7-methyl-N7-Methyladenine7-methylpurin-6-amineMFCD001277907H-Purin-6-amine, 7-methyl- (9CI)
Molecular Weight
149.15 g/mol
Molecular Formula
C6H7N5
Molecular Formula
C6H7N5
Num Rotatable Bonds
0