Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18709
- Core Entity Id
- 23973
- Source Entity Count
- 1
- Preferred Name
- Ethyl ferulate
- Name En
- Pubchem Id
- 736681
- Smiles Canonical
- CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
- Molecular Formula
- C12H14O4
- Molecular Weight
- 222.2400
- Inchikey
- ATJVZXXHKSYELS-FNORWQNLSA-N
- Inchi
- InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
- Isomeric Smiles
- CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
- Cas Id
- 4046-02-0
- Ob Score
- 10.2379
- Mol Logp
- 1.9771
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ethyl Ferulate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ethyl ferulate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ethyl ferulate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ethyl ferulate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethyl ferulate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
28028-62-8
Role
alias
Source
HERB_v2
Preferred
No
Name
28028-62-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-hydroxy-3-methoxy-phenyl)acrylic acid ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
320617_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4046-02-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4046-02-0
Role
alias
Source
TCMBank
Preferred
No
Name
4046-02-0
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-23714
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS097067
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, 4-hydroxy-3-methoxy-, ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 223-745-5
Role
alias
Source
TCMBank
Preferred
No
Name
Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
Role
alias
Source
TCMBank
Preferred
No
Name
Ethyl 4'-hydroxy-3'-methoxycinnamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 4'-hydroxy-3'-methoxycinnamate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl 4-hydroxy-3-methoxycinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
Ferulic acid ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Ferulic acid ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ferulic acid, ethyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
NSC14879
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00160496
Role
alias
Source
TCMBank
Preferred
No
Name
ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
ethylferulate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid ethyl ester(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester(E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester28028-62-83-(4-hydroxy-3-methoxy-phenyl)acrylic acid ethyl ester3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester320617_ALDRICH4046-02-0AI3-23714AIDS097067Cinnamic acid, 4-hydroxy-3-methoxy-, ethyl esterEINECS 223-745-5Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoateEthyl 4'-hydroxy-3'-methoxycinnamateEthyl 4-hydroxy-3-methoxycinnamateFerulic acid ethyl esterFerulic acid, ethyl esterNSC14879ZINC00160496ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateethylferulate
Cross References
Trusted external identifiers retained for this final record.
Cas
4046-02-0
Herb
HBIN025914
Npass
NPC202474
Tcmid
33581
Tcmsp
MOL004265
Sym Map
SMIT06213
Pub Chem
736681
Tcmbank
TCMBANKIN020708
Etcm Ingredient
Ethyl ferulate
Itcmdb Generated
ITX-INGREDIENT-886D1B67F4AD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Mol Wt
222.24
Cas Id
4046-02-0
Smiles
CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
Mol Log P
1.9771
Version
v1,v2
In Ch Ikey
ATJVZXXHKSYELS-FNORWQNLSA-N
Ob Score
10.23787910.2378791810.238
Suppress
0
Num Hdonors
1
Drug Likeness
0.625
Num Hacceptors
4
Isomeric Smiles
CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Molecule Weight
222.26
Canonical Smiles
CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
Herb Alias Names
4046-02-0Ferulic acid ethyl esterethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateEthyl 4'-hydroxy-3'-methoxycinnamate28028-62-8Ethyl 4-hydroxy-3-methoxycinnamateethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate(E)-Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateFerulic acid, ethyl ester
Molecular Weight
222.090
Molecular Weight
222.24
Molecular Formula
C12H14O4
Molecular Formula
C12H14O4
Molecular Formula
C12H14O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.181
Quantitative Estimate Of Drug Likeness（Qed）
0.625