Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10376
- Core Entity Id
- 14695
- Source Entity Count
- 1
- Preferred Name
- Alpha-isosparteine
- Name En
- Pubchem Id
- 92759
- Smiles Canonical
- C1CCN2CC3CC(C2C1)CN4C3CCCC4
- Molecular Formula
- C15H26N2
- Molecular Weight
- 234.3870
- Inchikey
- SLRCCWJSBJZJBV-BYNSBNAKSA-N
- Inchi
- InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15+/m0/s1
- Isomeric Smiles
- C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@@H]3CCCC4
- Cas Id
- Ob Score
- Mol Logp
- 2.3451
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-isosparteine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alpha-isosparteine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-alpha-Isosparteine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-alpha-Isosparteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-Isosparteine
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Isosparteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
446-95-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
446-95-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6beta-sparteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
6beta-sparteine
Role
alias
Source
HERB_v2
Preferred
No
Name
Genisteine
Role
alias
Source
HERB_v2
Preferred
No
Name
Genisteine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Genisteine-alkaloid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Genisteine-alkaloid
Role
alias
Source
HERB_v2
Preferred
No
Name
Isosparteine, alpha-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isosparteine, alpha-
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Isospartein
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Isospartein
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Sparteine
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Sparteine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-alpha-Isosparteine11-Isosparteine446-95-76beta-sparteineGenisteineGenisteine-alkaloidIsosparteine, alpha-alpha-Isosparteinalpha-Sparteine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015571
Tcmid
39453
Pub Chem
92759
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15+/m0/s1
Mol Wt
234.3869999999999
Mol Log P
2.3451
In Ch Ikey
SLRCCWJSBJZJBV-BYNSBNAKSA-N
Num Hdonors
0
Drug Likeness
0.635
Num Hacceptors
2
Isomeric Smiles
C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@@H]3CCCC4
Canonical Smiles
C1CCN2CC3CC(C2C1)CN4C3CCCC4
Herb Alias Names
GenisteineGenisteine-alkaloidalpha-Isosparteinalpha-SparteineIsosparteine, alpha-446-95-711-Isosparteine(-)-alpha-Isosparteine6beta-sparteine
Molecular Formula
C15H26N2
Num Rotatable Bonds
0