Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 17Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20743
- Core Entity Id
- 26238
- Source Entity Count
- 1
- Preferred Name
- Gro
- Name En
- Pubchem Id
- 446626
- Smiles Canonical
- CC(C1=CC=CC=C1)C(=O)O
- Molecular Formula
- C9H10O2
- Molecular Weight
- 150.1770
- Inchikey
- YPGCWEMNNLXISK-SSDOTTSWSA-N
- Inchi
- InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
- Isomeric Smiles
- C[C@H](C1=CC=CC=C1)C(=O)O
- Cas Id
- 492-37-5
- Ob Score
- 52.1627
- Mol Logp
- 1.8747
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
GRO
Role
preferred
Source
TCMBank
Preferred
Yes
Name
GRO
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gro
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gro
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gro
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-hydratropic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-hydratropic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-phenylpropanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-2-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R)-2-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-phenylpropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(-)-2-Phenylpropionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-(-)-2-Phenylpropionicacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-(−)-2-Phenylpropionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(−)-Hydratropic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-phenylpropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-phenylpropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-HTA
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-hydratropic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-hydratropic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
279897_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
7782-26-5
Role
alias
Source
HERB_v2
Preferred
No
Name
7782-26-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
R-2-PHENYL-PROPRIONIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
R-2-PHENYL-PROPRIONIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
R-2-PHENYL-PROPRIONIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-hydratropic acid(2R)-2-phenylpropanoic acid(2R)-2-phenylpropionic acid(R)-(-)-2-Phenylpropionic acid(R)-(-)-2-Phenylpropionicacid(R)-(−)-2-Phenylpropionic acid(R)-(−)-Hydratropic acid(R)-2-phenylpropanoic acid(R)-HTA(R)-hydratropic acid279897_ALDRICH7782-26-5R-2-PHENYL-PROPRIONIC ACID
Cross References
Trusted external identifiers retained for this final record.
Cas
492-37-5
Herb
HBIN028429
Tcmsp
MOL005484
Sym Map
SMIT07236
Pub Chem
446626
Tcmbank
TCMBANKIN007765
Etcm Ingredient
GRO
Itcmdb Generated
ITX-INGREDIENT-93E34661D00D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
Mol Wt
150.177
Cas Id
492-37-5
Smiles
CC(C1=CC=CC=C1)C(=O)O
Mol Log P
1.8747
Version
v1,v2
In Ch Ikey
YPGCWEMNNLXISK-SSDOTTSWSA-N
Ob Score
52.16269252.1626924552.163
Suppress
0
Num Hdonors
1
Drug Likeness
0.698
Num Hacceptors
1
Isomeric Smiles
C[C@H](C1=CC=CC=C1)C(=O)O
Molecule Weight
150.19
Canonical Smiles
CC(C1=CC=CC=C1)C(=O)O
Herb Alias Names
7782-26-5(R)-(-)-2-Phenylpropionic acid(R)-2-phenylpropanoic acid(2R)-2-phenylpropanoic acid(R)-hydratropic acid(-)-hydratropic acid(R)-(-)-2-PhenylpropionicacidR-2-PHENYL-PROPRIONIC ACID(R)-2-phenylpropionic acidr-(-)-2-phenylpropionic acid
Molecular Weight
150.070
Molecular Weight
150.17
Molecular Formula
C9H10O2
Molecular Formula
C9H10O2
Molecular Formula
C9H10O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.698