Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 9Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8091
- Core Entity Id
- 12165
- Source Entity Count
- 1
- Preferred Name
- 7,3',4'-trimethoxyquercetin
- Name En
- Pubchem Id
- 7
- Smiles Canonical
- CCN1C=NC2=C1N=CN=C2N
- Molecular Formula
- C7H9N5
- Molecular Weight
- 163.1840
- Inchikey
- MUIPLRMGAXZWSQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
- Isomeric Smiles
- CCN1C=NC2=C(N=CN=C21)N
- Cas Id
- Ob Score
- Mol Logp
- 0.4284
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,3',4'-trimethoxyquercetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,3',4'-trimethoxyquercetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,3',4'-trimethoxyquercetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2715-68-6
Role
alias
Source
HERB_v2
Preferred
No
Name
2715-68-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Ethyl-9H-purin-6-ylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Ethyl-9H-purin-6-ylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Ethyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
9-ethyl adenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-ethyl-9h-purin-6-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
9-ethyl-9h-purin-6-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-ethylpurin-6-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
9-ethylpurin-6-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Purin-6-amine, 9-ethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Purin-6-amine,9-ethyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Adenine, 9-ethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Adenine, 9-ethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
N9-Ethyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N9-Ethyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2715-68-69-Ethyl-9H-purin-6-ylamine9-Ethyladenine9-ethyl adenine9-ethyl-9h-purin-6-amine9-ethylpurin-6-amine9H-Purin-6-amine, 9-ethyl-9H-Purin-6-amine,9-ethylAdenine, 9-ethyl-N9-Ethyladenine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012908
Tcmid
42621
Pub Chem
7
Tcmbank
TCMBANKIN020866
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
Mol Wt
163.184
Smiles
CCN1C=NC2=C1N=CN=C2N
Mol Log P
0.4283999999999999
In Ch Ikey
MUIPLRMGAXZWSQ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.661
Num Hacceptors
5
Isomeric Smiles
CCN1C=NC2=C(N=CN=C21)N
Canonical Smiles
CCN1C=NC2=C(N=CN=C21)N
Herb Alias Names
9-Ethyladenine2715-68-69-ethyl-9h-purin-6-amine9-ethyl adenine9H-Purin-6-amine,9-ethyl9-Ethyl-9H-purin-6-ylamine9H-Purin-6-amine, 9-ethyl-9-ethylpurin-6-amineN9-EthyladenineAdenine, 9-ethyl-
Molecular Formula
C7H9N5
Molecular Formula
C7H9N5
Num Rotatable Bonds
1