Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 6Herb: 11Ingredient: 1Reference: 6Target: 12Links: 35
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13780
- Core Entity Id
- 18487
- Source Entity Count
- 1
- Preferred Name
- Carnosine
- Name En
- Pubchem Id
- 439224
- Smiles Canonical
- C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
- Molecular Formula
- C9H14N4O3
- Molecular Weight
- 226.2360
- Inchikey
- CQOVPNPJLQNMDC-ZETCQYMHSA-N
- Inchi
- InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
- Isomeric Smiles
- C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
- Cas Id
- Ob Score
- Mol Logp
- -1.1296
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Carnosine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Carnosine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Carnosine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Carnosine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
carnosine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
305-84-0
Role
alias
Source
HERB_v2
Preferred
No
Name
305-84-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ignotine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ignotine
Role
alias
Source
HERB_v2
Preferred
No
Name
Karnozin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Karnozin
Role
alias
Source
HERB_v2
Preferred
No
Name
Karnozzn
Role
alias
Source
itcmdb_public
Preferred
No
Name
Karnozzn
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Carnosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Carnosine
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Histidine, beta-alanyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Histidine, beta-alanyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Ignotine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Ignotine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-2-M
Role
alias
Source
HERB_v2
Preferred
No
Name
N-2-M
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Alanyl-L-histidine
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Alanyl-L-histidine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
305-84-0IgnotineKarnozinKarnozznL-CarnosineL-Histidine, beta-alanyl-L-IgnotineN-2-Mbeta-Alanyl-L-histidine
Cross References
Trusted external identifiers retained for this final record.
Hit
C0175
Herb
HBIN019758
Tcmid
3205
Sym Map
SMIT22833
Pub Chem
439224
Tcmbank
TCMBANKIN000051
Etcm Ingredient
Carnosine
Itcmdb Generated
ITX-INGREDIENT-476B6FF7A477ITX-INGREDIENT-60749CCEB96B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
Mol Wt
226.236
Smiles
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
Mol Log P
-1.129599999999999
Version
v2
In Ch Ikey
CQOVPNPJLQNMDC-ZETCQYMHSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.489
Num Hacceptors
4
Isomeric Smiles
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
Canonical Smiles
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
Herb Alias Names
L-Carnosine305-84-0beta-Alanyl-L-histidineIgnotineKarnozinKarnozznL-Histidine, beta-alanyl-L-IgnotineN-2-M
Molecular Weight
226.110
Molecular Weight
226.23 g/mol
Molecular Formula
C9H14N4O3
Molecular Formula
C9H14N4O3
Molecular Formula
C9H14N4O3
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.489