Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14527
- Core Entity Id
- 19312
- Source Entity Count
- 1
- Preferred Name
- Cinnamic acid,p-methoxy-,methyl ester
- Name En
- Pubchem Id
- 641297
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)OC
- Molecular Formula
- C11H12O3
- Molecular Weight
- 192.2140
- Inchikey
- VEZIKIAGFYZTCI-VMPITWQZSA-N
- Inchi
- InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
- Isomeric Smiles
- COC1=CC=C(C=C1)/C=C/C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.8814
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cinnamic acid,p-methoxy-,methyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cinnamic acid,p-methoxy-,methyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cinnamic acid,p-methoxy-,methyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-Methyl 3-(4-methoxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-Methyl 3-(4-methoxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
3901-07-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3901-07-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxycinnamic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxycinnamic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
832-01-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
832-01-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinnamic acid, p-methoxy-, methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinnamic acid, p-methoxy-, methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl (E)-p-methoxycinnamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl (E)-p-methoxycinnamate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 4-methoxycinnamate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 4-methoxycinnamate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl 3-(4-methoxyphenyl)acrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 3-(4-methoxyphenyl)acrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(e)-p-methoxycinnamicacid methyl ester
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-Methyl 3-(4-methoxyphenyl)acrylate3901-07-34-methoxycinnamic acid methyl ester832-01-9Cinnamic acid, p-methoxy-, methyl esterMethyl (E)-p-methoxycinnamateMethyl 4-methoxycinnamatemethyl (2E)-3-(4-methoxyphenyl)prop-2-enoatemethyl (E)-3-(4-methoxyphenyl)prop-2-enoatemethyl 3-(4-methoxyphenyl)acrylate(e)-p-methoxycinnamicacid methyl ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020662HBIN025438
Npass
NPC18119
Tcmid
1387940881
Pub Chem
641297
Tcmbank
TCMBANKIN012458TCMBANKIN061816
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
Mol Wt
192.214
Smiles
COC1=CC=C(C=C1)C=CC(=O)OC
Mol Log P
1.8814
In Ch Ikey
VEZIKIAGFYZTCI-VMPITWQZSA-N
Num Hdonors
0
Drug Likeness
0.542
Num Hacceptors
3
Isomeric Smiles
COC1=CC=C(C=C1)/C=C/C(=O)OC
Canonical Smiles
COC1=CC=C(C=C1)C=CC(=O)OC
Herb Alias Names
Methyl 4-methoxycinnamate832-01-9methyl 3-(4-methoxyphenyl)acrylate3901-07-3Methyl (E)-p-methoxycinnamate(E)-Methyl 3-(4-methoxyphenyl)acrylatemethyl (2E)-3-(4-methoxyphenyl)prop-2-enoatemethyl (E)-3-(4-methoxyphenyl)prop-2-enoateCinnamic acid, p-methoxy-, methyl ester4-methoxycinnamic acid methyl ester
Molecular Weight
192.21 g/mol
Molecular Formula
C11H12O3
Molecular Formula
C11H12O3
Num Rotatable Bonds
3