Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11338
- Core Entity Id
- 15770
- Source Entity Count
- 1
- Preferred Name
- Argutine b
- Name En
- Pubchem Id
- 5319975
- Smiles Canonical
- CC1CCC2=C1C=NC=C2C(=O)N
- Molecular Formula
- C10H12N2O
- Molecular Weight
- 176.2190
- Inchikey
- CPWSAKUPXWXJPQ-ZCFIWIBFSA-N
- Inchi
- InChI=1S/C10H12N2O/c1-6-2-3-7-8(6)4-12-5-9(7)10(11)13/h4-6H,2-3H2,1H3,(H2,11,13)/t6-/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC2=C(C=NC=C12)C(=O)N
- Cas Id
- Ob Score
- Mol Logp
- 1.2302
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Argutine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Argutine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
argutine b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14478-19-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
14478-19-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NSYWN
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NSYWN
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50415766
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50415766
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14478-19-4AC1NSYWNDTXSID50415766
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016726
Npass
NPC166862
Tcmid
1677
Pub Chem
5319975
Tcmbank
TCMBANKIN047030
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H12N2O/c1-6-2-3-7-8(6)4-12-5-9(7)10(11)13/h4-6H,2-3H2,1H3,(H2,11,13)/t6-/m1/s1
Mol Wt
176.219
Smiles
CC1CCC2=C1C=NC=C2C(=O)N
Mol Log P
1.2302
In Ch Ikey
CPWSAKUPXWXJPQ-ZCFIWIBFSA-N
Mol2 Path
/TCM_database/2007_3d_all/01677.mol2
Reference
2185
Num Hdonors
1
Drug Likeness
0.699
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1CCC2=C(C=NC=C12)C(=O)N
Canonical Smiles
CC1CCC2=C(C=NC=C12)C(=O)N
Herb Alias Names
AC1NSYWN14478-19-4DTXSID50415766
Molecular Formula
C10H12N2O
Molecular Formula
C10H12N2O
Num Rotatable Bonds
1