Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Reference: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10945
- Core Entity Id
- 15329
- Source Entity Count
- 1
- Preferred Name
- Anserine
- Name En
- Pubchem Id
- 112072
- Smiles Canonical
- CN1C=NC=C1CC(C(=O)O)NC(=O)CCN
- Molecular Formula
- C10H16N4O3
- Molecular Weight
- 240.2630
- Inchikey
- MYYIAHXIVFADCU-QMMMGPOBSA-N
- Inchi
- InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
- Isomeric Smiles
- CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN
- Cas Id
- Ob Score
- Mol Logp
- -1.1192
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anserine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anserine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anserine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
anserine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
anserine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
584-85-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
584-85-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:18323
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:18323
Role
alias
Source
HERB_v2
Preferred
No
Name
HDQ4N37UGV
Role
alias
Source
HERB_v2
Preferred
No
Name
HDQ4N37UGV
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Anserine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Anserine
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD11040910
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD11040910
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-beta-Alanyl-3-methyl-L-histidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-beta-Alanyl-3-methyl-L-histidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Na-(3-aminopropanoyl)-Np-methyl-L-histidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Na-(3-aminopropanoyl)-Np-methyl-L-histidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Alanyl-N(pai)-methyl-L-histidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Alanyl-N(pai)-methyl-L-histidine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid584-85-0CHEBI:18323HDQ4N37UGVL-AnserineMFCD11040910N-beta-Alanyl-3-methyl-L-histidineNa-(3-aminopropanoyl)-Np-methyl-L-histidinebeta-Alanyl-N(pai)-methyl-L-histidine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016264
Tcmid
1350
Sym Map
SMIT22359
Pub Chem
112072
Tcmbank
TCMBANKIN003698
Etcm Ingredient
anserine
Itcmdb Generated
ITX-INGREDIENT-1857F2D51C37ITX-INGREDIENT-2BC093B56346
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
Mol Wt
240.2629999999999
Smiles
CN1C=NC=C1CC(C(=O)O)NC(=O)CCN
Mol Log P
-1.119199999999998
Version
v2
In Ch Ikey
MYYIAHXIVFADCU-QMMMGPOBSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.583
Num Hacceptors
5
Isomeric Smiles
CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCN
Canonical Smiles
CN1C=NC=C1CC(C(=O)O)NC(=O)CCN
Herb Alias Names
L-Anserine584-85-0N-beta-Alanyl-3-methyl-L-histidineHDQ4N37UGVCHEBI:18323(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acidbeta-Alanyl-N(pai)-methyl-L-histidineNa-(3-aminopropanoyl)-Np-methyl-L-histidineMFCD11040910
Molecular Weight
240.120
Molecular Weight
240.26 g/mol
Molecular Formula
C10H16N4O3
Molecular Formula
C10H16N4O3
Molecular Formula
C10H16N4O3
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.057
Quantitative Estimate Of Drug Likeness（Qed）
0.583