Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18745
- Core Entity Id
- 24014
- Source Entity Count
- 1
- Preferred Name
- Etilevodopa
- Name En
- Pubchem Id
- 170345
- Smiles Canonical
- CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N
- Molecular Formula
- C11H15NO4
- Molecular Weight
- 225.2440
- Inchikey
- NULMGOSOSZBEQL-QMMMGPOBSA-N
- Inchi
- InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
- Isomeric Smiles
- CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N
- Cas Id
- 37178-37-3
- Ob Score
- 13.3060
- Mol Logp
- 0.5307
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Etilevodopa
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Etilevodopa
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Etilevodopa
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Etilevodopa
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Etilevodopa
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Etilevodopa
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-3,4-Dihydroxy-L-phenylalanine, ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
3-hydroxy-L-tyrosine ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-L-tyrosine ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
37178-37-3
Role
alias
Source
TCMBank
Preferred
No
Name
37178-37-3
Role
alias
Source
HERB_v2
Preferred
No
Name
37178-37-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
D04097
Role
alias
Source
TCMBank
Preferred
No
Name
Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Etilevodopa (USAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Etilevodopa [USAN:INN]
Role
alias
Source
TCMBank
Preferred
No
Name
L-Dopa ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Dopa ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
L-Dopa ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Levodopa ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
Levodopa ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Levodopa ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00871210
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00871210
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-Ethyl-DOPA
Role
alias
Source
HERB_v2
Preferred
No
Name
O-Ethyl-DOPA
Role
alias
Source
itcmdb_public
Preferred
No
Name
TV-1203
Role
alias
Source
HERB_v2
Preferred
No
Name
TV-1203
Role
alias
Source
TCMBank
Preferred
No
Name
TV-1203
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Role
alias
Source
TCMBank
Preferred
No
Name
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-3,4-Dihydroxy-L-phenylalanine, ethyl ester(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid ethyl ester(2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid ethyl ester3-hydroxy-L-tyrosine ethyl ester37178-37-3D04097Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateEtilevodopa (USAN)Etilevodopa [USAN:INN]L-Dopa ethyl esterLevodopa ethyl esterMFCD00871210O-Ethyl-DOPATV-1203ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Cross References
Trusted external identifiers retained for this final record.
Cas
37178-37-3
Herb
HBIN025998
Tcmsp
MOL011315
Sym Map
SMIT12237
Pub Chem
170345
Tcmbank
TCMBANKIN016615
Etcm Ingredient
Etilevodopa
Itcmdb Generated
ITX-INGREDIENT-E441EDF34A7D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
Mol Wt
225.244
Cas Id
37178-37-3
Smiles
CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N
Mol Log P
0.5307000000000001
Version
v1,v2
In Ch Ikey
NULMGOSOSZBEQL-QMMMGPOBSA-N
Ob Score
13.30613.30638213.3063824
Suppress
0
Num Hdonors
3
Drug Likeness
0.513
Num Hacceptors
5
Isomeric Smiles
CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N
Molecule Weight
225.27
Canonical Smiles
CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N
Herb Alias Names
37178-37-3L-Dopa ethyl esterLevodopa ethyl esterethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoateO-Ethyl-DOPATV-1203MFCD00871210Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate3-hydroxy-L-tyrosine ethyl ester
Molecular Weight
225.100
Molecular Weight
225.24
Molecular Formula
C11H15NO4
Molecular Formula
C11H15NO4
Molecular Formula
C11H15NO4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.052
Quantitative Estimate Of Drug Likeness（Qed）
0.513