Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17139
- Core Entity Id
- 22220
- Source Entity Count
- 1
- Preferred Name
- Hydroferulic
- Name En
- Pubchem Id
- 14340
- Smiles Canonical
- COC1=C(C=CC(C1)C=CC(=O)O)O
- Molecular Formula
- C10H12O4
- Molecular Weight
- 196.2020
- Inchikey
- BOLQJTPHPSDZHR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
- Isomeric Smiles
- COC1=C(C=CC(=C1)CCC(=O)O)O
- Cas Id
- Ob Score
- 34.6740
- Mol Logp
- 1.4180
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(4-Hydroxy-3-Methoxyphenyl)Propionic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dihydroferulic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-(4-Hydroxy-3-Methoxyphenyl)Propionic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydroferulic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydroferulic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydroferulic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydroferulic
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hydroferulic
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydroferulic
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dihydroferulic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1135-23-5
Role
alias
Source
HERB_v2
Preferred
No
Name
1135-23-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxymethyl)propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxymethyl)propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenepropanoic acid, 4-hydroxy-3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenepropanoic acid, 4-hydroxy-3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydro Ferulic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydroconiferylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydroconiferylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroferulic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroferulic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-O01RNC700M
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-O01RNC700M
Role
alias
Source
itcmdb_public
Preferred
No
Name
dihydroferulic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroferulic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
hydroferulic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3-(4-Hydroxy-3-Methoxyphenyl)Propionic AcidDihydroferulic Acid1135-23-53-(4-Hydroxy-3-methoxyphenyl)propanoic acid3-(4-Hydroxymethyl)propionic acidBenzenepropanoic acid, 4-hydroxy-3-methoxy-Dihydro Ferulic AcidDihydroconiferylic acidHydroferulic acidUNII-O01RNC700M
Cross References
Trusted external identifiers retained for this final record.
Cas
1135-23-5
Herb
HBIN023879HBIN029674HBIN029675
Npass
NPC194416
Tcmid
3276235204
Tcmsp
MOL007685
Sym Map
SMIT09067SMIT21086SMIT23583SMIT24479
Tcm Id
19944
Pub Chem
1434017865499
Tcmbank
TCMBANKIN007074TCMBANKIN061631
Itcmdb Generated
ITX-INGREDIENT-5078D1FCB9BAITX-INGREDIENT-EFAC1C953DCBITX-INGREDIENT-B4A09CC38976
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredientsOther ingredients
In Ch I
InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
Mol Wt
196.202
Smiles
COC1=C(C=CC(C1)C=CC(=O)O)O
Mol Log P
1.418
Version
v1,v2v2
In Ch Ikey
BOLQJTPHPSDZHR-UHFFFAOYSA-N
Ob Score
34.67434.67448345
Suppress
0
Num Hdonors
2
Drug Likeness
0.764
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=CC(=C1)CCC(=O)O)O
Molecule Weight
196.22
Canonical Smiles
COC1=C(C=CC(=C1)CCC(=O)O)O
Herb Alias Names
1135-23-53-(4-Hydroxy-3-methoxyphenyl)propionic acid3-(4-Hydroxy-3-methoxyphenyl)propanoic acidHydroferulic acidDihydroconiferylic acid3-(4-Hydroxymethyl)propionic acidBenzenepropanoic acid, 4-hydroxy-3-methoxy-UNII-O01RNC700MDihydro Ferulic Acid
Molecular Weight
196.2 g/mol
Molecule Formula
C10H12O4
Molecular Formula
C10H12O4
Molecular Formula
C10H12O4
Num Rotatable Bonds
4