Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29695
- Core Entity Id
- 36190
- Source Entity Count
- 1
- Preferred Name
- Phloretinicacid
- Name En
- Pubchem Id
- 10394
- Smiles Canonical
- C1=CC(=CC=C1CCC(=O)O)O
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.1760
- Inchikey
- NMHMNPHRMNGLLB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
- Isomeric Smiles
- C1=CC(=CC=C1CCC(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4094
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phloretinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phloretinicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phloretinicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苹果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PING GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Apple
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxyphenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxyphenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxyphenyl)propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxyphenyl)propionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxyphenylpropionic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxyphenylpropionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
501-97-3
Role
alias
Source
HERB_v2
Preferred
No
Name
501-97-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenepropanoic acid, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenepropanoic acid, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydro-p-coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydro-p-coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydro-p-coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydro-p-coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phloretic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Phloretic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
desaminotyrosine
Role
alias
Source
HERB_v2
Preferred
No
Name
desaminotyrosine
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Hydroxyhydrocinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Hydroxyhydrocinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-hydroxyphenyl-propionic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Phloretinic acid苹果PING GUOApple3-(4-Hydroxyphenyl)propanoic acid3-(4-Hydroxyphenyl)propionic acid4-Hydroxyphenylpropionic acid501-97-3Benzenepropanoic acid, 4-hydroxy-Dihydro-p-coumaric acidHydro-p-coumaric acidPhloretic aciddesaminotyrosinep-Hydroxyhydrocinnamic acidp-hydroxyphenyl-propionic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039575HBIN039707
Npass
NPC245561
Tcmid
17155333573753937947
Pub Chem
10394
Tcmbank
TCMBANKIN038114TCMBANKIN058249
Itcmdb Generated
ITX-INGREDIENT-8E6A7CDA42A6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
Mol Wt
166.176
Smiles
C1=CC(=CC=C1CCC(=O)O)O
Mol Log P
1.409399999999999
In Ch Ikey
NMHMNPHRMNGLLB-UHFFFAOYSA-N
Tcm Name
苹果
Tcm Name2
PING GUO
Mol2 Path
/TCM_database/2007_3d_all/17169.mol2
Reference
660, 1521, 5252
Num Hdonors
2
Tcm Name En
Apple
Drug Likeness
0.713
Num Hacceptors
2
Isomeric Smiles
C1=CC(=CC=C1CCC(=O)O)O
Canonical Smiles
C1=CC(=CC=C1CCC(=O)O)O
Herb Alias Names
3-(4-Hydroxyphenyl)propionic acid501-97-3Phloretic acid3-(4-Hydroxyphenyl)propanoic aciddesaminotyrosineBenzenepropanoic acid, 4-hydroxy-Dihydro-p-coumaric acidHydro-p-coumaric acid4-Hydroxyphenylpropionic acidp-Hydroxyhydrocinnamic acid
Molecular Weight
166.17 g/mol
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Num Rotatable Bonds
3