Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3121
- Core Entity Id
- 6656
- Source Entity Count
- 1
- Preferred Name
- 3-(3,4,5-trimethoxyphenyl)propanoic acid
- Name En
- Pubchem Id
- 64860
- Smiles Canonical
- COC1=CC(=CC(=C1OC)OC)CCC(=O)O
- Molecular Formula
- C12H16O5
- Molecular Weight
- 240.2550
- Inchikey
- ZCYXGVJUZBKJAI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)OC)CCC(=O)O
- Cas Id
- 25173-72-2
- Ob Score
- Mol Logp
- 1.7296
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.8200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(3,4,5-trimethoxyphenyl)propanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-(3,4,5-trimethoxyphenyl)propanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-(3,4,5-trimethoxyphenyl)propanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
25173-72-2
Role
alias
Source
HERB_v2
Preferred
No
Name
25173-72-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,5-Trimethoxyhydrocinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,5-Trimethoxyhydrocinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,5-Trimethoxyphenylpropionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,5-Trimethoxyphenylpropionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,5-trimethoxy-benzenepropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,5-trimethoxy-benzenepropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,5-trimethoxydihydrocinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4,5-trimethoxydihydrocinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,5-trimethoxydihydrocinnamicacid
Role
alias
Source
TCMBank
Preferred
No
Name
3-(3,4,5-Trimethoxyphenyl)propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(3,4,5-Trimethoxyphenyl)propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenepropanoic acid, 3,4,5-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenepropanoic acid, 3,4,5-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:583580
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:583580
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00002775
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002775
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
25173-72-23,4,5-Trimethoxyhydrocinnamic acid3,4,5-Trimethoxyphenylpropionic acid3,4,5-trimethoxy-benzenepropanoic acid3,4,5-trimethoxydihydrocinnamic acid3,4,5-trimethoxydihydrocinnamicacid3-(3,4,5-Trimethoxyphenyl)propionic acidBenzenepropanoic acid, 3,4,5-trimethoxy-CHEBI:583580MFCD00002775
Cross References
Trusted external identifiers retained for this final record.
Cas
25173-72-2
Herb
HBIN007109HBIN007296
Npass
NPC173608
Tcmid
21891
Tcm Id
8498
Pub Chem
64860
Tcmbank
TCMBANKIN061788
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
Mol Wt
240.2549999999999
Cas Id
25173-72-2
Smiles
COC1=CC(=CC(=C1OC)OC)CCC(=O)O
Mol Log P
1.7296
In Ch Ikey
ZCYXGVJUZBKJAI-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.82
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)CCC(=O)O
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)CCC(=O)O
Herb Alias Names
25173-72-23-(3,4,5-Trimethoxyphenyl)propionic acidBenzenepropanoic acid, 3,4,5-trimethoxy-3,4,5-trimethoxydihydrocinnamic acid3,4,5-Trimethoxyhydrocinnamic acidMFCD000027753,4,5-Trimethoxyphenylpropionic acidCHEBI:5835803,4,5-trimethoxy-benzenepropanoic acid
Molecular Weight
240.25 g/mol
Molecular Formula
C12H16O5
Molecular Formula
C12H16O5
Num Rotatable Bonds
6