Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 11Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29777
- Core Entity Id
- 36280
- Source Entity Count
- 1
- Preferred Name
- P-hydroxycinnamic acid,ethyl ester
- Name En
- Pubchem Id
- 676946
- Smiles Canonical
- CCOC(=O)C=CC1=CC=C(C=C1)O
- Molecular Formula
- C11H12O3
- Molecular Weight
- 192.2140
- Inchikey
- ZOQCEVXVQCPESC-VMPITWQZSA-N
- Inchi
- InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
- Isomeric Smiles
- CCOC(=O)/C=C/C1=CC=C(C=C1)O
- Cas Id
- 394257
- Ob Score
- 27.6840
- Mol Logp
- 1.9685
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-Hydroxycinnamic Acid, Ethyl Ester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
P-hydroxycinnamic acid,ethyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
P-hydroxycinnamic acid,ethyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
p-Hydroxycinnamic acid, ethyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
2979-06-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2979-06-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7362-39-2
Role
alias
Source
HERB_v2
Preferred
No
Name
7362-39-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2074640
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2074640
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl 3-(4-hydroxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl coumarate
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl coumarate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl p-Coumarate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethyl p-Coumarate
Role
alias
Source
HERB_v2
Preferred
No
Name
ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Coumaric acid ethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Coumaric acid ethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
p-hydroxyl ethyl cinnamate
Role
alias
Source
HERB_v2
Preferred
No
Name
p-hydroxyl ethyl cinnamate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
P-Hydroxycinnamic Acid, Ethyl Ester(E)-Ethyl 3-(4-hydroxyphenyl)acrylate2979-06-87362-39-2CHEMBL2074640Ethyl 3-(4-hydroxyphenyl)acrylateEthyl coumarateEthyl p-Coumarateethyl (E)-3-(4-hydroxyphenyl)prop-2-enoatep-Coumaric acid ethyl esterp-hydroxyl ethyl cinnamate
Cross References
Trusted external identifiers retained for this final record.
Cas
2979-06-8
Herb
HBIN039687
Npass
NPC304638
Tcmid
38851
Tcmsp
MOL012238
Sym Map
SMIT13023
Pub Chem
676946
Tcmbank
TCMBANKIN061250
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
Mol Wt
192.214
Cas Id
394257
Smiles
CCOC(=O)C=CC1=CC=C(C=C1)O
Mol Log P
1.9685
Version
v1,v2
In Ch Ikey
ZOQCEVXVQCPESC-VMPITWQZSA-N
Ob Score
27.68427.6840739127.684074
Suppress
0
Num Hdonors
1
Drug Likeness
0.588
Num Hacceptors
3
Isomeric Smiles
CCOC(=O)/C=C/C1=CC=C(C=C1)O
Molecule Weight
192.23
Canonical Smiles
CCOC(=O)C=CC1=CC=C(C=C1)O
Herb Alias Names
p-Coumaric acid ethyl ester7362-39-2(E)-Ethyl 3-(4-hydroxyphenyl)acrylateEthyl coumarateEthyl p-Coumarate2979-06-8p-hydroxyl ethyl cinnamateethyl (E)-3-(4-hydroxyphenyl)prop-2-enoateEthyl 3-(4-hydroxyphenyl)acrylateCHEMBL2074640
Molecular Weight
192.21 g/mol
Molecular Formula
C11H12O3
Molecular Formula
C11H12O3
Num Rotatable Bonds
3