Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34102
- Core Entity Id
- 41100
- Source Entity Count
- 1
- Preferred Name
- Strychninen-oxide
- Name En
- Pubchem Id
- 73393
- Smiles Canonical
- C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)[O-]
- Molecular Formula
- C21H22N2O3
- Molecular Weight
- 350.4180
- Inchikey
- ADTDBAKUQAKBGZ-VXJIXCKJSA-N
- Inchi
- InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1
- Isomeric Smiles
- C1C[N+]2(CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 2.1051
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Strychnine N-oxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Strychninen-Oxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Strychninen-oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Strychninen-oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
strychninen-oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7248-28-4
Role
alias
Source
HERB_v2
Preferred
No
Name
7248-28-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Genostrychnine
Role
alias
Source
HERB_v2
Preferred
No
Name
Genostrychnine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Oxystrychnine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Oxystrychnine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnidin-10-one, 19-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnidin-10-one, 19-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine N-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine N6-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnine N6-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine, 19-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine, 19-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnine, Nb-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnine, Nb-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine-N-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
strychnine n-oxide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Strychnine N-oxide7248-28-4GenostrychnineN-OxystrychnineStrychnidin-10-one, 19-oxideStrychnine N6-oxideStrychnine, 19-oxideStrychnine, Nb-oxideStrychnine-N-oxide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045004
Npass
NPC260075
Tcmid
2039525241
Sym Map
SMIT17809SMIT18814
Pub Chem
73393
Tcmbank
TCMBANKIN013404
Etcm Ingredient
Strychnine N-oxide
Itcmdb Generated
ITX-INGREDIENT-AADD89FDBD07
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1
Mol Wt
350.4180000000001
Smiles
C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)[O-]
Mol Log P
2.1051
Version
v1,v2
In Ch Ikey
ADTDBAKUQAKBGZ-VXJIXCKJSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.409
Num Hacceptors
3
Isomeric Smiles
C1C[N+]2(CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75)[O-]
Canonical Smiles
C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)[O-]
Herb Alias Names
Strychnine N-oxideGenostrychnineN-OxystrychnineStrychnine-N-oxideStrychnine N6-oxideStrychnine, 19-oxideStrychnine, N-oxideStrychnidin-10-one, 19-oxide7248-28-4Strychnine, Nb-oxide
Molecular Weight
350.160
Molecular Weight
350.4 g/mol
Molecular Formula
C21H22N2O3
Molecular Formula
C21H22N2O3
Molecular Formula
C21H22N2O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.970
Quantitative Estimate Of Drug Likeness（Qed）
0.409