Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12053
- Core Entity Id
- 16565
- Source Entity Count
- 1
- Preferred Name
- Bassorin
- Name En
- Pubchem Id
- 3032472
- Smiles Canonical
- CC(C)NC1=NC(=NC(=N1)N=[N+]=[N-])SC
- Molecular Formula
- C7H11N7S
- Molecular Weight
- 225.2810
- Inchikey
- AFIIBUOYKYSPKB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
- Isomeric Smiles
- CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
- Cas Id
- Ob Score
- Mol Logp
- 2.3556
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bassorin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Bassorin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bassorin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bassorin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
bassorin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4658-28-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4658-28-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AZIPROTRYNE
Role
alias
Source
itcmdb_public
Preferred
No
Name
AZIPROTRYNE
Role
alias
Source
HERB_v2
Preferred
No
Name
Azeprotyrne
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azeprotyrne
Role
alias
Source
HERB_v2
Preferred
No
Name
Aziprotryn
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aziprotryn
Role
alias
Source
HERB_v2
Preferred
No
Name
Azirpotryne
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azirpotryne
Role
alias
Source
HERB_v2
Preferred
No
Name
Brasoran
Role
alias
Source
itcmdb_public
Preferred
No
Name
Brasoran
Role
alias
Source
HERB_v2
Preferred
No
Name
Brassoron
Role
alias
Source
itcmdb_public
Preferred
No
Name
Brassoron
Role
alias
Source
HERB_v2
Preferred
No
Name
Mesoranil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mesoranil
Role
alias
Source
HERB_v2
Preferred
No
Name
Mezaronil
Role
alias
Source
HERB_v2
Preferred
No
Name
Mezaronil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mezuron
Role
alias
Source
HERB_v2
Preferred
No
Name
Mezuron
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4658-28-0AZIPROTRYNEAzeprotyrneAziprotrynAzirpotryneBrasoranBrassoronMesoranilMezaronilMezuron
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017615
Tcmid
23740
Sym Map
SMIT01873
Tcm Id
217376425
Pub Chem
3032472
Tcmbank
TCMBANKIN020121
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
Mol Wt
225.281
Smiles
CC(C)NC1=NC(=NC(=N1)N=[N+]=[N-])SC
Mol Log P
2.3556
Version
v1,v2
In Ch Ikey
AFIIBUOYKYSPKB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.367
Num Hacceptors
6
Isomeric Smiles
CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
Canonical Smiles
CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
Herb Alias Names
AZIPROTRYNE4658-28-0AziprotrynMesoranilAzeprotyrneAzirpotryneBrasoranBrassoronMezaronilMezuron
Molecular Formula
C7H11N7S
Num Rotatable Bonds
4