Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 5Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6119
- Core Entity Id
- 9984
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxystrychnine
- Name En
- Pubchem Id
- 211181
- Smiles Canonical
- C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C(=CC=C7)O
- Molecular Formula
- C21H22N2O3
- Molecular Weight
- 350.4180
- Inchikey
- NZPSURVTGWFING-BEONAWIISA-N
- Inchi
- InChI=1S/C21H22N2O3/c24-14-3-1-2-13-19(14)23-17(25)9-15-18-12-8-16-21(13,20(18)23)5-6-22(16)10-11(12)4-7-26-15/h1-4,12,15-16,18,20,24H,5-10H2/t12-,15-,16-,18-,20-,21?/m0/s1
- Isomeric Smiles
- C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C(=CC=C7)O
- Cas Id
- 22595-26-2
- Ob Score
- 28.3430
- Mol Logp
- 1.7981
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxystrychnine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-Hydroxystrychnine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-hydroxystrychnine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxystrychnine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-hydroxystrychnine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(11S,18S,20R,21R,22S)-6-HYDROXY-12-OXA-8,17-DIAZAHEPTACYCLO[15.5.2.0(1),(1)?.0(2),?.0?,(2)(2).0(1)(1),(2)(1).0(1)?,(2)?]TETRACOSA-2,4,6,14-TETRAEN-9-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
22595-26-2
Role
alias
Source
HERB_v2
Preferred
No
Name
22595-26-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
22595-26-2
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxystrychnidin-10-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxystrychnidin-10-one
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxystrychnidin-10-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxystrychnine
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L4QB3
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID80945248
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80945248
Role
alias
Source
HERB_v2
Preferred
No
Name
LS-147137
Role
alias
Source
TCMBank
Preferred
No
Name
Strychnidin-10-one, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnidin-10-one, 4-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Strychnidin-10-one, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnidin-10-one, 4-hydroxy- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Strychnine, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine, 4-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Strychnine, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(11S,18S,20R,21R,22S)-6-HYDROXY-12-OXA-8,17-DIAZAHEPTACYCLO[15.5.2.0(1),(1)?.0(2),?.0?,(2)(2).0(1)(1),(2)(1).0(1)?,(2)?]TETRACOSA-2,4,6,14-TETRAEN-9-ONE22595-26-24-Hydroxystrychnidin-10-oneAC1L4QB3DTXSID80945248LS-147137Strychnidin-10-one, 4-hydroxy-Strychnidin-10-one, 4-hydroxy- (9CI)Strychnine, 4-hydroxy-
Cross References
Trusted external identifiers retained for this final record.
Cas
22595-26-2
Herb
HBIN010574
Npass
NPC66848
Tcmid
10733
Tcmsp
MOL003438
Sym Map
SMIT00535
Tcm Id
20954243597812
Pub Chem
211181
Tcmbank
TCMBANKIN005834
Etcm Ingredient
4-Hydroxystrychnine
Itcmdb Generated
ITX-INGREDIENT-8DD88DA3C2DC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H22N2O3/c24-14-3-1-2-13-19(14)23-17(25)9-15-18-12-8-16-21(13,20(18)23)5-6-22(16)10-11(12)4-7-26-15/h1-4,12,15-16,18,20,24H,5-10H2/t12-,15-,16-,18-,20-,21?/m0/s1
Mol Wt
350.4180000000001
Cas Id
22595-26-2
Smiles
C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C(=CC=C7)O
Mol Log P
1.7981
Version
v1,v2
In Ch Ikey
NZPSURVTGWFING-BEONAWIISA-N
Ob Score
28.34328.34327328.34327301
Suppress
0
Num Hdonors
1
Drug Likeness
0.725
Num Hacceptors
4
Isomeric Smiles
C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C(=CC=C7)O
Molecule Weight
350.45
Canonical Smiles
C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C(=CC=C7)O
Herb Alias Names
4-Hydroxystrychnidin-10-one22595-26-2Strychnidin-10-one, 4-hydroxy-Strychnine, 4-hydroxy-DTXSID80945248
Molecular Weight
350.160
Molecular Weight
350.41
Molecule Formula
C21H22N2O3
Molecular Formula
C21H22N2O3
Molecular Formula
C21H22N2O3
Molecular Formula
C21H22N2O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.911
Quantitative Estimate Of Drug Likeness（Qed）
0.725