Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 16Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27960
- Core Entity Id
- 34264
- Source Entity Count
- 1
- Preferred Name
- Ron
- Name En
- Pubchem Id
- 439575
- Smiles Canonical
- CCCC(C(=O)O)N
- Molecular Formula
- C5H11NO2
- Molecular Weight
- 117.1480
- Inchikey
- SNDPXSYFESPGGJ-BYPYZUCNSA-N
- Inchi
- InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
- Isomeric Smiles
- CCC[C@@H](C(=O)O)N
- Cas Id
- 498-18-0
- Ob Score
- 75.8158
- Mol Logp
- 0.1984
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norvaline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ron
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Norvaline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Norvaline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norvaline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Norvaline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Norvaline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
RON
Role
preferred
Source
TCMBank
Preferred
Yes
Name
RON
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ron
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ron
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ron
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苹果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PING GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Apple
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S)-2-aminopentanamide
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2S)-2-aminopentanamide
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-aminopentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-aminopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-aminopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-aminovaleric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-()-2-Aminopentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-2-Aminopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Aminopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Aminovaleric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-Aminovaleric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-2-Aminovaleric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Aminopentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2PI
Role
alias
Source
TCMBank
Preferred
No
Name
2S-amino-pentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
6600-40-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
6600-40-4
Role
alias
Source
HERB_v2
Preferred
No
Name
7324-06-03 00:00:00
Role
alias
Source
SymMap_v2
Preferred
No
Name
7324/6/3
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L9L0M
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L9L0M
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-33434
Role
alias
Source
SymMap_v2
Preferred
No
Name
AJ-33434
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006337414
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006337414
Role
alias
Source
SymMap_v2
Preferred
No
Name
C01826
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18314
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 229-543-3
Role
alias
Source
TCMBank
Preferred
No
Name
L-2-Aminovaleric acid
Role
alias
Source
TCMBank
Preferred
No
Name
L-2-aminopentanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-2-aminopentanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
L-2-aminopentanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-2-aminopentanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Norvaline (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
L-norvalinamide
Role
alias
Source
TCMBank
Preferred
No
Name
L-norvalinamide
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-norvaline
Role
alias
Source
HERB_v2
Preferred
No
Name
L-norvaline
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01100041
Role
alias
Source
TCMBank
Preferred
No
Name
N7627_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 203786
Role
alias
Source
TCMBank
Preferred
No
Name
Norvalinamid
Role
alias
Source
SymMap_v2
Preferred
No
Name
Norvalinamid
Role
alias
Source
TCMBank
Preferred
No
Name
Norvaline (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Norvaline, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norvaline, L-
Role
alias
Source
TCMBank
Preferred
No
Name
Norvaline, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentanoic acid, 2-amino-
Role
alias
Source
TCMBank
Preferred
No
Name
Pentanoic acid, 2-amino-, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2266247
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2266247
Role
alias
Source
SymMap_v2
Preferred
No
Name
UZRUKLJLGXLGDM-BYPYZUCNSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UZRUKLJLGXLGDM-BYPYZUCNSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
Valeric acid, 2-amino-
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC2047540
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC2047540
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Aminopentanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
h-nva-oh
Role
alias
Source
HERB_v2
Preferred
No
Name
h-nva-oh
Role
alias
Source
itcmdb_public
Preferred
No
Name
norvaline
Role
alias
Source
itcmdb_public
Preferred
No
Name
norvaline
Role
alias
Source
HERB_v2
Preferred
No
Name
norvaline amide
Role
alias
Source
TCMBank
Preferred
No
Name
norvaline amide
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Norvaline苹果PING GUOApple(2S)-2-aminopentanamide(2S)-2-aminopentanoic acid(2S)-2-aminovaleric acid(S)-()-2-Aminopentanoic acid(S)-2-Aminopentanoic acid(S)-2-Aminovaleric acid2-Aminopentanoic acid2PI2S-amino-pentanoic acid6600-40-47324-06-03 00:00:007324/6/3AC1L9L0MAJ-33434AKOS006337414C01826CHEBI:18314EINECS 229-543-3L-2-Aminovaleric acidL-2-aminopentanoateL-2-aminopentanoic acidL-Norvaline (9CI)L-norvalinamideL-norvalineLMFA01100041N7627_SIGMANSC 203786NorvalinamidNorvaline (VAN)Norvaline, L-Pentanoic acid, 2-amino-Pentanoic acid, 2-amino-, (S)-SCHEMBL2266247UZRUKLJLGXLGDM-BYPYZUCNSA-NValeric acid, 2-amino-ZINC2047540alpha-L-Aminopentanoic acidh-nva-ohnorvaline amide
Cross References
Trusted external identifiers retained for this final record.
Cas
498-18-0
Herb
HBIN037405HBIN042404
Tcmid
15805
Tcmsp
MOL007901
Sym Map
SMIT09257SMIT16931
Pub Chem
43957565098824
Tcmbank
TCMBANKIN024490TCMBANKIN045888
Etcm Ingredient
NorvalineRON
Itcmdb Generated
ITX-INGREDIENT-1BBCD5CA222BITX-INGREDIENT-96D009CA76E9
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredientsOther ingredients
In Ch I
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Mol Wt
117.148
Smiles
CCCC(C(=O)O)N
Mol Log P
0.1984
Version
v1,v2
In Ch Ikey
SNDPXSYFESPGGJ-BYPYZUCNSA-N
Ob Score
75.8158485475.81584975.816
Suppress
0
Tcm Name
苹果
Tcm Name2
PING GUO
Mol2 Path
/TCM_database/2007_3d_all/15814.mol2
Reference
660
Num Hdonors
2
Tcm Name En
Apple
Drug Likeness
0.555
Num Hacceptors
2
Isomeric Smiles
CCC[C@@H](C(=O)O)N
Molecule Weight
117.17
Canonical Smiles
CCCC(C(=O)O)N
Herb Alias Names
L-norvaline6600-40-4(S)-2-Aminopentanoic acidh-nva-oh(2S)-2-aminopentanoic acidL-2-aminopentanoic acidNorvaline, L-(S)-2-Aminovaleric acidL-2-aminopentanoate
Molecular Weight
117.080
Molecular Weight
117.15117.15 g/mol
Molecular Formula
C5H11NO2
Molecular Formula
C5H11NO2
Molecular Formula
C5H11NO2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.555