Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7497
- Core Entity Id
- 11515
- Source Entity Count
- 1
- Preferred Name
- 6-benzylaminopurine
- Name En
- Pubchem Id
- 53445306
- Smiles Canonical
- C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)N=CN3
- Molecular Formula
- C12H11N5
- Molecular Weight
- 225.2550
- Inchikey
- NWBJYWHLCVSVIJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
- Isomeric Smiles
- C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
- Cas Id
- Ob Score
- Mol Logp
- 1.9650
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-benzylaminopurine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-benzylaminopurine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-benzylaminopurine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1214-39-7
Role
alias
Source
HERB_v2
Preferred
No
Name
1214-39-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(Benzylamino)purine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(Benzylamino)purine
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Benzyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Benzyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
6-benzylaminopurine
Role
alias
Source
TCMBank
Preferred
No
Name
Benzyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzylaminopurine
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzylaminopurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cytokinin B
Role
alias
Source
HERB_v2
Preferred
No
Name
Cytokinin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Benzyl-9H-purin-6-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Benzyl-9H-purin-6-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Benzyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Benzyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N6-Benzyladenine
Role
alias
Source
HERB_v2
Preferred
No
Name
N6-Benzyladenine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1214-39-76-(Benzylamino)purine6-BenzyladenineBenzyladenineBenzylaminopurineCytokinin BN-Benzyl-9H-purin-6-amineN-BenzyladenineN6-Benzyladenine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012236
Tcm Id
1387713878
Pub Chem
5344530662389
Tcmbank
TCMBANKIN007405
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
Mol Wt
225.255
Smiles
C1=CC=C(C=C1)CC2=C3C(=NC(=N2)N)N=CN3
Mol Log P
1.965
In Ch Ikey
NWBJYWHLCVSVIJ-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
Canonical Smiles
C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
Herb Alias Names
1214-39-7BenzyladenineN6-Benzyladenine6-BenzyladenineN-BenzyladenineN-Benzyl-9H-purin-6-amine6-(Benzylamino)purineBenzylaminopurineCytokinin B
Molecular Weight
225.25 g/mol
Molecular Formula
C12H11N5
Molecular Formula
C12H11N5
Num Rotatable Bonds
3