Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4524
- Core Entity Id
- 8218
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxykynurenine
- Name En
- Pubchem Id
- 49791998
- Smiles Canonical
- C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)[O-])[NH3+]
- Molecular Formula
- C10H12N2O4
- Molecular Weight
- 224.2160
- Inchikey
- VCKPUUFAIGNJHC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
- Isomeric Smiles
- C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
- Cas Id
- 606-14-4
- Ob Score
- Mol Logp
- -0.0409
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxykynurenine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-hydroxykynurenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hydroxykynurenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-hydroxykynurenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2147-61-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2147-61-7
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(3-Hydroxyanthraniloyl)alanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(3-Hydroxyanthraniloyl)alanine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-dl-kynurenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-dl-kynurenine
Role
alias
Source
HERB_v2
Preferred
No
Name
484-78-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
484-78-6
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-3-Hydroxykyunrenine
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-3-Hydroxykyunrenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxykynurenine
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxykynurenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kynurenine, 3-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Kynurenine, 3-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
dl-3-Hydroxykynurenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
dl-3-Hydroxykynurenine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid2147-61-73-(3-Hydroxyanthraniloyl)alanine3-Hydroxy-dl-kynurenine484-78-6DL-3-HydroxykyunrenineHydroxykynurenineKynurenine, 3-hydroxy-dl-3-Hydroxykynurenine
Cross References
Trusted external identifiers retained for this final record.
Cas
606-14-4
Herb
HBIN008717
Npass
NPC39646
Tcmid
10293
Tcm Id
8080
Pub Chem
4979199889
Tcmbank
TCMBANKIN005383
Etcm Ingredient
3-Hydroxykynurenine
Itcmdb Generated
ITX-INGREDIENT-EDFA6C69B3B7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
Mol Wt
224.216
Cas Id
606-14-4
Smiles
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)[O-])[NH3+]
Mol Log P
-0.04090000000000055
In Ch Ikey
VCKPUUFAIGNJHC-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.323
Num Hacceptors
5
Isomeric Smiles
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
Canonical Smiles
C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N
Herb Alias Names
3-Hydroxy-dl-kynurenine484-78-62147-61-7Hydroxykynurenine2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic aciddl-3-HydroxykynurenineKynurenine, 3-hydroxy-3-(3-Hydroxyanthraniloyl)alanineDL-3-Hydroxykyunrenine
Molecular Weight
224.080
Molecular Weight
224.21
Molecular Formula
C10H12N2O4
Molecular Formula
C10H12N2O4
Molecular Formula
C10H12N2O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.323